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

Systemtic Name: cyclohexyl 2-[5-(4-methoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OC4CCCCC4

InChI

InChI=1S/C21H22N2O4S/c1-26-15-9-7-14(8-10-15)17-12-28-20-19(17)21(25)23(13-22-20)11-18(24)27-16-5-3-2-4-6-16/h7-10,12-13,16H,2-6,11H2,1H3