propan-2-yl 4-(3-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 4-(3-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-(3-bromophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isopropyl ester Formula: C15H17BrN2O2S MolecularWeight: 369.27668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Br)C(=O)OC(C)C

InChI

InChI=1S/C15H17BrN2O2S/c1-8(2)20-14(19)12-9(3)17-15(21)18-13(12)10-5-4-6-11(16)7-10/h4-8,13H,1-3H3,(H2,17,18,21)