tert-butyl 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(pentylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(cyclohexylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-phenylazanyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(phenethylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(pentylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(cyclohexylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-phenylazanyl-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(phenethylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-[4-anilino-6-[4-[4-(cyclohexylamino)-6-[4-[4-[4-[4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]-6-(pentylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(isobutylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(phenethylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-[4-[4-anilino-6-[4-[4-(cyclohexylamino)-6-[4-[4-[4-[4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)-1-piperazinyl]-6-(pentylamino)-1,3,5-triazin-2-yl]-1-piperazinyl]-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]-1-piperazinyl]-1,3,5-triazin-2-yl]-1-piperazinyl]-1,3,5-triazin-2-yl]-1-piperazinyl]-6-(phenethylamino)-1,3,5-triazin-2-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-[4-anilino-6-[4-[4-(cyclohexylamino)-6-[4-[4-[4-[4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]-6-(pentylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(phenethylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(amylamino)-6-[4-(4,6-dichloro-s-triazin-2-yl)piperazino]-s-triazin-2-yl]piperazino]-6-(isobutylamino)-s-triazin-2-yl]piperazino]-6-(cyclohexylamino)-s-triazin-2-yl]piperazino]-6-anilino-s-triazin-2-yl]piperazino]-6-(phenethylamino)-s-triazin-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C76H107Cl2N35O2 MolecularWeight: 1613.80208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=N1)N2CCN(CC2)C3=NC(=NC(=N3)Cl)Cl)N4CCN(CC4)C5=NC(=NC(=N5)N6CCN(CC6)C7=NC(=NC(=N7)N8CCN(CC8)C9=NC(=NC(=N9)NC1=CC=CC=C1)N1CCN(CC1)C1=NC(=NC(=N1)NCCC1=CC=CC=C1)N1CCN(CC1)C(=O)OC(C)(C)C)NC1CCCCC1)NCC(C)C

Isomeric SMILES

CCCCCNC1=NC(=NC(=N1)N2CCN(CC2)C3=NC(=NC(=N3)Cl)Cl)N4CCN(CC4)C5=NC(=NC(=N5)N6CCN(CC6)C7=NC(=NC(=N7)N8CCN(CC8)C9=NC(=NC(=N9)NC1=CC=CC=C1)N1CCN(CC1)C1=NC(=NC(=N1)NCCC1=CC=CC=C1)N1CCN(CC1)C(=O)OC(C)(C)C)NC1CCCCC1)NCC(C)C

InChI

InChI=1S/C76H107Cl2N35O2/c1-7-8-18-26-79-59-87-65(103-30-28-102(29-31-103)64-85-57(77)84-58(78)86-64)97-66(88-59)104-32-34-106(35-33-104)69-91-61(81-52-53(2)3)92-70(99-69)107-38-42-109(43-39-107)72-94-63(83-56-23-16-11-17-24-56)96-74(101-72)111-46-44-110(45-47-111)73-95-62(82-55-21-14-10-15-22-55)93-71(100-73)108-40-36-105(37-41-108)67-89-60(80-27-25-54-19-12-9-13-20-54)90-68(98-67)112-48-50-113(51-49-112)75(114)115-76(4,5)6/h9-10,12-15,19-22,53,56H,7-8,11,16-18,23-52H2,1-6H3,(H,79,87,88,97)(H,80,89,90,98)(H,81,91,92,99)(H,82,93,95,100)(H,83,94,96,101)