2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-ethyl-5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-ethyl-5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-ethyl-5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-ethyl-5-(4-fluorophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-5-(4-fluorophenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23FN2O2S2 MolecularWeight: 418.547923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)C(C)(C)C)SC(=C2C3=CC=C(C=C3)F)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)C(C)(C)C)SC(=C2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H23FN2O2S2/c1-6-24-19(26)17-16(13-7-9-14(22)10-8-13)12(2)28-18(17)23-20(24)27-11-15(25)21(3,4)5/h7-10H,6,11H2,1-5H3