5,6-dimethyl-3-(2-methylpropyl)-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-(2-methylpropyl)-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-isobutyl-5,6-dimethyl-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-(2-methylpropyl)-2-(phenacylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-(2-methylpropyl)-2-phenacylsulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-isobutyl-5,6-dimethyl-2-(phenacylthio)thieno[2,3-d]pyrimidin-4-one Formula: C20H22N2O2S2 MolecularWeight: 386.53088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC(C)C)C

InChI

InChI=1S/C20H22N2O2S2/c1-12(2)10-22-19(24)17-13(3)14(4)26-18(17)21-20(22)25-11-16(23)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3