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

Systemtic Name: pentyl 2-[5-(2,4-dimethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-4-5-6-9-26-18(24)11-23-13-22-20-19(21(23)25)17(12-27-20)16-8-7-14(2)10-15(16)3/h7-8,10,12-13H,4-6,9,11H2,1-3H3