2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO

InChI

InChI=1S/C17H22N2O3S/c1-17(2,3)14(21)11-23-16-18-13-8-5-4-7-12(13)15(22)19(16)9-6-10-20/h4-5,7-8,20H,6,9-11H2,1-3H3