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

Systemtic Name: (3-methylcyclohexyl) 2-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (3-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 (3-methylcyclohexyl) ester IUPAC Name: (3-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 (3-methylcyclohexyl) ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCCC(C1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H24N2O3S/c1-14-6-8-16(9-7-14)18-12-28-21-20(18)22(26)24(13-23-21)11-19(25)27-17-5-3-4-15(2)10-17/h6-9,12-13,15,17H,3-5,10-11H2,1-2H3