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

Systemtic Name: 2-methylpropyl 2-[5-(4-methoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: isobutyl 2-[5-(4-methoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-(4-methoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[4-keto-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]butyric acid isobutyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-5-17(21(25)27-10-13(2)3)23-12-22-19-18(20(23)24)16(11-28-19)14-6-8-15(26-4)9-7-14/h6-9,11-13,17H,5,10H2,1-4H3