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

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

Systemtic Name:2-[1-(azepan-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenyl-quinazolin-4-one
Openeye Name:2-[1-(azepan-1-ylmethyl)-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenyl-quinazolin-4-one
CAS Name:2-[[1-(1-azepanyl)-3-(2-oxo-1-pyrrolidinyl)propan-2-yl]thio]-3-phenyl-4-quinazolinone
IUPAC Name:2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one
Traditional Name:2-[[1-(azepan-1-ylmethyl)-2-(2-ketopyrrolidino)ethyl]thio]-3-phenyl-quinazolin-4-one
Formula: C27H32N4O2S
MolecularWeight: 476.63358
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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


Isomeric SMILES

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


InChI

InChI=1S/C27H32N4O2S/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


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