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

Systemtic Name: ethyl 6-(4-bromophenyl)-4-methyl-3-(phenylmethyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-benzyl-6-(4-bromophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-bromophenyl)-4-methyl-3-(phenylmethyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-6-(4-bromophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-6-(4-bromophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H21BrN2O2S MolecularWeight: 445.37264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)Br)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)Br)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H21BrN2O2S/c1-3-26-20(25)18-14(2)24(13-15-7-5-4-6-8-15)21(27)23-19(18)16-9-11-17(22)12-10-16/h4-12,19H,3,13H2,1-2H3,(H,23,27)