N-[4-[[4-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-6-(4-pyrrolidin-1-ylpiperidin-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-pyrrolidin-1-ylpiperidin-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-pyrrolidin-1-yl-1-piperidyl)-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-(1-pyrrolidinyl)-1-piperidinyl]-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-pyrrolidin-1-ylpiperidin-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-pyrrolidinopiperidino)-s-triazin-2-yl]amino]-2-hydroxy-phenyl]benzamide Formula: C30H39ClN10O2 MolecularWeight: 607.14946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)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

C1CCN(C1)C2CCN(CC2)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/C30H39ClN10O2/c31-20-5-3-19(4-6-20)27(43)35-25-8-7-23(16-26(25)42)34-28-36-29(38-30(37-28)41-17-21(32)15-22(33)18-41)40-13-9-24(10-14-40)39-11-1-2-12-39/h3-8,16,21-22,24,42H,1-2,9-15,17-18,32-33H2,(H,35,43)(H,34,36,37,38)/t21-,22+