N-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]-8-oxidanyl-quinoline-7-carboxamide

Systemtic Name: N-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]-8-oxidanyl-quinoline-7-carboxamide Openeye Name: N-[4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-phenyl]-8-hydroxy-quinoline-7-carboxamide CAS Name: N-[4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-8-hydroxy-7-quinolinecarboxamide IUPAC Name: N-[4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-8-hydroxyquinoline-7-carboxamide Traditional Name: N-[4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-2-hydroxy-phenyl]-8-hydroxy-quinoline-7-carboxamide Formula: C29H36N12O3 MolecularWeight: 600.67474

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)NC(=O)C4=C(C5=C(C=CC=N5)C=C4)O)O)N6CC(CC(C6)N)N)N

Isomeric SMILES

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)NC(=O)C4=C(C5=C(C=CC=N5)C=C4)O)O)N6CC(CC(C6)N)N)N

InChI

InChI=1S/C29H36N12O3/c30-16-8-17(31)12-40(11-16)28-37-27(38-29(39-28)41-13-18(32)9-19(33)14-41)35-20-4-6-22(23(42)10-20)36-26(44)21-5-3-15-2-1-7-34-24(15)25(21)43/h1-7,10,16-19,42-43H,8-9,11-14,30-33H2,(H,36,44)(H,35,37,38,39)