ethyl 4-(4-bromanylthiophen-2-yl)-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate

Systemtic Name: ethyl 4-(4-bromanylthiophen-2-yl)-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 4-(4-bromo-2-thienyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate CAS Name: 4-(4-bromo-2-thiophenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromothiophen-2-yl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 4-(4-bromo-2-thienyl)-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C13H12BrN3O3S MolecularWeight: 370.22168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CS2)Br

Isomeric SMILES

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CS2)Br

InChI

InChI=1S/C13H12BrN3O3S/c1-3-20-13(19)17-11(10-4-8(14)6-21-10)9(5-15)7(2)16-12(17)18/h4,6,11H,3H2,1-2H3,(H,16,18)