7-chloranyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-chloro-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 3-benzyl-7-chloro-2-[(2-keto-2-pyrrolidino-ethyl)thio]quinazolin-4-one Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O2S/c22-16-8-9-17-18(12-16)23-21(28-14-19(26)24-10-4-5-11-24)25(20(17)27)13-15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13-14H2