5,6-dimethyl-2-(2-oxidanylidenecyclohexyl)sulfanyl-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-(2-oxidanylidenecyclohexyl)sulfanyl-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-5,6-dimethyl-2-(2-oxocyclohexyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(2-oxocyclohexyl)thio]-3-(phenylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-benzyl-5,6-dimethyl-2-(2-oxocyclohexyl)sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-[(2-ketocyclohexyl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCC3=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCC3=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H22N2O2S2/c1-13-14(2)26-19-18(13)20(25)23(12-15-8-4-3-5-9-15)21(22-19)27-17-11-7-6-10-16(17)24/h3-5,8-9,17H,6-7,10-12H2,1-2H3