bicyclo[2.2.0]hexa-1(4),2,5-triene; N-[2-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-6-oxidanyl-phenyl]ethanamide

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; N-[2-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-6-oxidanyl-phenyl]ethanamide Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; N-[2-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-6-hydroxy-phenyl]acetamide CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; N-[2-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-6-hydroxyphenyl]acetamide IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; N-[2-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-6-hydroxyphenyl]acetamide Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; N-[2-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-6-hydroxy-phenyl]acetamide Formula: C27H37N11O2 MolecularWeight: 547.65518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC=C1O)NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N.C1=CC2=C1C=C2

Isomeric SMILES

CC(=O)NC1=C(C=CC=C1O)NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N.C1=CC2=C1C=C2

InChI

InChI=1S/C21H33N11O2.C6H4/c1-11(33)26-18-16(3-2-4-17(18)34)27-19-28-20(31-7-12(22)5-13(23)8-31)30-21(29-19)32-9-14(24)6-15(25)10-32;1-2-6-4-3-5(1)6/h2-4,12-15,34H,5-10,22-25H2,1H3,(H,26,33)(H,27,28,29,30);1-4H