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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)OCC(C)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)OCC(C)C)C

InChI

InChI=1S/C21H23N3O4S/c1-12(2)10-28-16(25)9-24-11-22-20-17(21(24)27)14(4)18(29-20)19(26)23-15-8-6-5-7-13(15)3/h5-8,11-12H,9-10H2,1-4H3,(H,23,26)