8-[4-[1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidin-3-yl]carbonylpiperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-[1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)piperidin-3-yl]carbonylpiperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-[1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carbonyl]piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-[[1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-piperidinyl]-oxomethyl]-1-piperazinyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-3-carbonyl]piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-[1-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)nipecotoyl]piperazino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C32H33ClN8O4 MolecularWeight: 629.10862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)C4CCCN(C4)C5=C(C6=C(C=CC(=C6)Cl)NC5=O)C7=CC=CC=C7

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)C4CCCN(C4)C5=C(C6=C(C=CC(=C6)Cl)NC5=O)C7=CC=CC=C7

InChI

InChI=1S/C32H33ClN8O4/c1-37-27-25(30(44)38(2)32(37)45)35-31(36-27)40-15-13-39(14-16-40)29(43)20-9-6-12-41(18-20)26-24(19-7-4-3-5-8-19)22-17-21(33)10-11-23(22)34-28(26)42/h3-5,7-8,10-11,17,20H,6,9,12-16,18H2,1-2H3,(H,34,42)(H,35,36)