ethyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[2-(2-isopropylanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-3-[2-oxo-2-(2-propan-2-ylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(2-isopropylanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3C(C)C)C

InChI

InChI=1S/C21H23N3O4S/c1-5-28-21(27)18-13(4)17-19(29-18)22-11-24(20(17)26)10-16(25)23-15-9-7-6-8-14(15)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,23,25)