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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O

InChI

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