2-methoxyethyl 6-(3-bromophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-(3-bromophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-(3-bromophenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-(3-bromophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-bromophenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=CC=C3)Br)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=CC=C3)Br)C(=O)OCCOC

InChI

InChI=1S/C21H21BrN2O3S/c1-14-18(20(25)27-12-11-26-2)19(15-7-6-8-16(22)13-15)23-21(28)24(14)17-9-4-3-5-10-17/h3-10,13,19H,11-12H2,1-2H3,(H,23,28)