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

Systemtic Name: (3-methylcyclohexyl) 2-[5-(4-methoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (3-methylcyclohexyl) 2-[5-(4-methoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-methoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (3-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid (3-methylcyclohexyl) ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-14-4-3-5-17(10-14)28-19(25)11-24-13-23-21-20(22(24)26)18(12-29-21)15-6-8-16(27-2)9-7-15/h6-9,12-14,17H,3-5,10-11H2,1-2H3