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

Systemtic Name: butyl 2-[5-(3,4-dimethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: butyl 2-[5-(3,4-dimethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(3,4-dimethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid butyl ester IUPAC Name: butyl 2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[5-(3,4-dimethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid butyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C

InChI

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