3-(5-methylpyridin-2-yl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(5-methylpyridin-2-yl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-(5-methyl-2-pyridyl)-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 3-(5-methyl-2-pyridinyl)-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 3-(5-methylpyridin-2-yl)-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 2-[(2-ketoazepan-3-yl)thio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCNC4=O

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCNC4=O

InChI

InChI=1S/C20H20N4O2S/c1-13-9-10-17(22-12-13)24-19(26)14-6-2-3-7-15(14)23-20(24)27-16-8-4-5-11-21-18(16)25/h2-3,6-7,9-10,12,16H,4-5,8,11H2,1H3,(H,21,25)