2-methylpropyl 5-methyl-4-oxidanylidene-3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 5-methyl-4-oxidanylidene-3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 3-(2-anilino-1-methyl-2-oxo-ethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(1-anilino-1-oxopropan-2-yl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(1-anilino-1-oxopropan-2-yl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-anilino-2-keto-1-methyl-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)NC3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)NC3=CC=CC=C3)C(=O)OCC(C)C

InChI

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