2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(phenylmethyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(phenylmethyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(phenylmethyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-[(2-keto-3,3-dimethyl-butyl)thio]thieno[3,2-d]pyrimidin-4-one Formula: C19H20N2O2S2 MolecularWeight: 372.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC=C2

InChI

InChI=1S/C19H20N2O2S2/c1-19(2,3)15(22)12-25-18-20-14-9-10-24-16(14)17(23)21(18)11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3