3-cyclopropyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-cyclopropyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-cyclopropyl-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 3-cyclopropyl-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 3-cyclopropyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 3-cyclopropyl-2-[(2-ketoazepan-3-yl)thio]quinazolin-4-one Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C17H19N3O2S/c21-15-14(7-3-4-10-18-15)23-17-19-13-6-2-1-5-12(13)16(22)20(17)11-8-9-11/h1-2,5-6,11,14H,3-4,7-10H2,(H,18,21)