N-[4-[[4-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]-4-chloranyl-benzamide

Systemtic Name: N-[4-[[4-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]-4-chloranyl-benzamide Openeye Name: 4-chloro-N-[4-[[4-[(3S,5R)-3,5-diamino-1-piperidyl]-6-[4-(4-pyridyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-2-hydroxy-phenyl]benzamide CAS Name: 4-chloro-N-[4-[[4-[(3S,5R)-3,5-diamino-1-piperidinyl]-6-(4-pyridin-4-yl-1-piperazinyl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]benzamide IUPAC Name: 4-chloro-N-[4-[[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]benzamide Traditional Name: 4-chloro-N-[4-[[4-[(3S,5R)-3,5-diaminopiperidino]-6-[4-(4-pyridyl)piperazino]-s-triazin-2-yl]amino]-2-hydroxy-phenyl]benzamide Formula: C30H34ClN11O2 MolecularWeight: 616.11646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C3=NC(=NC(=N3)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl)O)N6CC(CC(C6)N)N

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C3=NC(=NC(=N3)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl)O)N6C[C@@H](C[C@@H](C6)N)N

InChI

InChI=1S/C30H34ClN11O2/c31-20-3-1-19(2-4-20)27(44)36-25-6-5-23(16-26(25)43)35-28-37-29(39-30(38-28)42-17-21(32)15-22(33)18-42)41-13-11-40(12-14-41)24-7-9-34-10-8-24/h1-10,16,21-22,43H,11-15,17-18,32-33H2,(H,36,44)(H,35,37,38,39)/t21-,22+