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

Systemtic Name: 3-(4-chlorophenyl)-2-[1-(2-oxidanylidenepyrrolidin-1-yl)-3-piperidin-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one hydrochloride Openeye Name: 3-(4-chlorophenyl)-2-[1-[(2-oxopyrrolidin-1-yl)methyl]-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one hydrochloride CAS Name: 3-(4-chlorophenyl)-2-[[1-(2-oxo-1-pyrrolidinyl)-3-(1-piperidinyl)propan-2-yl]thio]-4-quinazolinone hydrochloride IUPAC Name: 3-(4-chlorophenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one hydrochloride Traditional Name: 3-(4-chlorophenyl)-2-[[1-[(2-ketopyrrolidino)methyl]-2-piperidino-ethyl]thio]quinazolin-4-one hydrochloride Formula: C26H30Cl2N4O2S MolecularWeight: 533.513

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(CN2CCCC2=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl.Cl

Isomeric SMILES

C1CCN(CC1)CC(CN2CCCC2=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl.Cl

InChI

InChI=1S/C26H29ClN4O2S.ClH/c27-19-10-12-20(13-11-19)31-25(33)22-7-2-3-8-23(22)28-26(31)34-21(17-29-14-4-1-5-15-29)18-30-16-6-9-24(30)32;/h2-3,7-8,10-13,21H,1,4-6,9,14-18H2;1H