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

Systemtic Name: cyclopentyl 2-[5-(3,4-dimethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: cyclopentyl 2-[5-(3,4-dimethoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(3,4-dimethoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-[5-(3,4-dimethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(3,4-dimethoxyphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid cyclopentyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OC4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OC4CCCC4)OC

InChI

InChI=1S/C21H22N2O5S/c1-26-16-8-7-13(9-17(16)27-2)15-11-29-20-19(15)21(25)23(12-22-20)10-18(24)28-14-5-3-4-6-14/h7-9,11-12,14H,3-6,10H2,1-2H3