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

Systemtic Name: 2-methylpropyl 2-[5-(3,4-dimethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: isobutyl 2-[5-(3,4-dimethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-(3,4-dimethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[5-(3,4-dimethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]butyric acid isobutyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(C)C)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC(C(=O)OCC(C)C)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H26N2O3S/c1-6-18(22(26)27-10-13(2)3)24-12-23-20-19(21(24)25)17(11-28-20)16-8-7-14(4)15(5)9-16/h7-9,11-13,18H,6,10H2,1-5H3