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

Systemtic Name: ethyl 3-[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[1-(4-bromoanilino)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[1-(4-bromoanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-bromoanilino)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C(C)C(=O)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C(C)C(=O)NC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C19H18BrN3O4S/c1-4-27-19(26)15-10(2)14-17(28-15)21-9-23(18(14)25)11(3)16(24)22-13-7-5-12(20)6-8-13/h5-9,11H,4H2,1-3H3,(H,22,24)