ethyl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate

Systemtic Name: ethyl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: ethyl 2-[5-methyl-6-(o-tolylcarbamoyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-methyl-6-[(2-methylanilino)-oxomethyl]-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]butyric acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3C)C

Isomeric SMILES

CCC(C(=O)OCC)N1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3C)C

InChI

InChI=1S/C21H23N3O4S/c1-5-15(21(27)28-6-2)24-11-22-19-16(20(24)26)13(4)17(29-19)18(25)23-14-10-8-7-9-12(14)3/h7-11,15H,5-6H2,1-4H3,(H,23,25)