2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-6-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC=C

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC=C

InChI

InChI=1S/C21H22N2O2S2/c1-5-11-23-19(25)15-12-16(14-9-7-6-8-10-14)27-18(15)22-20(23)26-13-17(24)21(2,3)4/h5-10,12H,1,11,13H2,2-4H3