6-chloranyl-3-(2-methylpropyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-3-(2-methylpropyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 6-chloro-3-isobutyl-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 6-chloro-3-(2-methylpropyl)-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 6-chloro-3-(2-methylpropyl)-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 6-chloro-3-isobutyl-2-[(2-ketoazepan-3-yl)thio]quinazolin-4-one Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC3CCCCNC3=O

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC3CCCCNC3=O

InChI

InChI=1S/C18H22ClN3O2S/c1-11(2)10-22-17(24)13-9-12(19)6-7-14(13)21-18(22)25-15-5-3-4-8-20-16(15)23/h6-7,9,11,15H,3-5,8,10H2,1-2H3,(H,20,23)