ethyl 5-(4-bromophenyl)-7-methyl-4-oxidanylidene-2-sulfanylidene-4a,5,8,8a-tetrahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)-7-methyl-4-oxidanylidene-2-sulfanylidene-4a,5,8,8a-tetrahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-7-methyl-4-oxo-2-thioxo-4a,5,8,8a-tetrahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(4-bromophenyl)-7-methyl-4-oxo-2-sulfanylidene-4a,5,8,8a-tetrahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-7-methyl-4-oxo-2-sulfanylidene-4a,5,8,8a-tetrahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-(4-bromophenyl)-4-keto-7-methyl-2-thioxo-4a,5,8,8a-tetrahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H18BrN3O3S MolecularWeight: 424.31212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2C(C1C3=CC=C(C=C3)Br)C(=O)NC(=S)N2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2C(C1C3=CC=C(C=C3)Br)C(=O)NC(=S)N2)C

InChI

InChI=1S/C17H18BrN3O3S/c1-3-24-16(23)11-8(2)19-14-13(15(22)21-17(25)20-14)12(11)9-4-6-10(18)7-5-9/h4-7,12-14,19H,3H2,1-2H3,(H2,20,21,22,25)