(4-methylcyclohexyl) 2-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: (4-methylcyclohexyl) 2-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (4-methylcyclohexyl) 2-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid (4-methylcyclohexyl) ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCC(CC1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H24N2O3S/c1-14-3-7-16(8-4-14)18-12-28-21-20(18)22(26)24(13-23-21)11-19(25)27-17-9-5-15(2)6-10-17/h3-4,7-8,12-13,15,17H,5-6,9-11H2,1-2H3