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

Systemtic Name: (4-methylcyclohexyl) 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: (4-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 (4-methylcyclohexyl) ester IUPAC Name: (4-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 (4-methylcyclohexyl) ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC(CC1)OC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

InChI

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