2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C)(C)C

InChI

InChI=1S/C20H21N3O2S/c1-13-9-10-17(21-11-13)23-18(25)14-7-5-6-8-15(14)22-19(23)26-12-16(24)20(2,3)4/h5-11H,12H2,1-4H3