ethyl 6-(3-aminophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3-aminophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-aminophenyl)-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-aminophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-aminophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-aminophenyl)-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)N)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)N)C(=O)OCC)C

InChI

InChI=1S/C16H21N3O2S/c1-4-19-10(3)13(15(20)21-5-2)14(18-16(19)22)11-7-6-8-12(17)9-11/h6-9,14H,4-5,17H2,1-3H3,(H,18,22)