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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-phenethyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-phenethyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-phenethylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Formula: C20H22N2O2S2 MolecularWeight: 386.53088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)SC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)SC=C2

InChI

InChI=1S/C20H22N2O2S2/c1-20(2,3)16(23)13-26-19-21-15-10-12-25-17(15)18(24)22(19)11-9-14-7-5-4-6-8-14/h4-8,10,12H,9,11,13H2,1-3H3