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

Systemtic Name: hexyl 2-[5-(2,4-dimethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: hexyl 2-[5-(2,4-dimethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(2,4-dimethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid hexyl ester IUPAC Name: hexyl 2-[5-(2,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(2,4-dimethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid hexyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCCCCOC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C22H26N2O3S/c1-4-5-6-7-10-27-19(25)12-24-14-23-21-20(22(24)26)18(13-28-21)17-9-8-15(2)11-16(17)3/h8-9,11,13-14H,4-7,10,12H2,1-3H3