3-(3-methylpyridin-2-yl)-2-(2-oxidanylidenecycloheptyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-methylpyridin-2-yl)-2-(2-oxidanylidenecycloheptyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-methyl-2-pyridyl)-2-(2-oxocycloheptyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-methyl-2-pyridinyl)-2-[(2-oxocycloheptyl)thio]-4-quinazolinone IUPAC Name: 3-(3-methylpyridin-2-yl)-2-(2-oxocycloheptyl)sulfanylquinazolin-4-one Traditional Name: 2-[(2-ketocycloheptyl)thio]-3-(3-methyl-2-pyridyl)quinazolin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O

Isomeric SMILES

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O

InChI

InChI=1S/C21H21N3O2S/c1-14-8-7-13-22-19(14)24-20(26)15-9-5-6-10-16(15)23-21(24)27-18-12-4-2-3-11-17(18)25/h5-10,13,18H,2-4,11-12H2,1H3