2-[1-(azepan-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenyl-quinazolin-4-one hydrochloride

Systemtic Name: 2-[1-(azepan-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenyl-quinazolin-4-one hydrochloride Openeye Name: 2-[1-(azepan-1-ylmethyl)-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenyl-quinazolin-4-one hydrochloride CAS Name: 2-[[1-(1-azepanyl)-3-(2-oxo-1-pyrrolidinyl)propan-2-yl]thio]-3-phenyl-4-quinazolinone hydrochloride IUPAC Name: 2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one hydrochloride Traditional Name: 2-[[1-(azepan-1-ylmethyl)-2-(2-ketopyrrolidino)ethyl]thio]-3-phenyl-quinazolin-4-one hydrochloride Formula: C27H33ClN4O2S MolecularWeight: 513.09452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(CN2CCCC2=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5.Cl

Isomeric SMILES

C1CCCN(CC1)CC(CN2CCCC2=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5.Cl

InChI

InChI=1S/C27H32N4O2S.ClH/c32-25-15-10-18-30(25)20-22(19-29-16-8-1-2-9-17-29)34-27-28-24-14-7-6-13-23(24)26(33)31(27)21-11-4-3-5-12-21;/h3-7,11-14,22H,1-2,8-10,15-20H2;1H