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

Systemtic Name: ethyl 3-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(2-bromo-4-methyl-anilino)-2-keto-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)CC(=O)NC3=C(C=C(C=C3)C)Br)C

Isomeric SMILES

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

InChI

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