(3-methylcyclohexyl) 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: (3-methylcyclohexyl) 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: (3-methylcyclohexyl) 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid (3-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid (3-methylcyclohexyl) ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC1CCCC(C1)OC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S2/c1-14-6-5-9-16(10-14)25-19(24)12-26-20-17-11-18(15-7-3-2-4-8-15)27-21(17)23-13-22-20/h2-4,7-8,11,13-14,16H,5-6,9-10,12H2,1H3