(3-methylcyclohexyl) 2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoate

Systemtic Name: (3-methylcyclohexyl) 2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoate Openeye Name: (3-methylcyclohexyl) 2-(4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetic acid (3-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(4-keto-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetic acid (3-methylcyclohexyl) ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC1CCCC(C1)OC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S/c1-14-6-5-9-16(10-14)26-19(24)12-23-13-22-20-17(21(23)25)11-18(27-20)15-7-3-2-4-8-15/h2-4,7-8,11,13-14,16H,5-6,9-10,12H2,1H3