methyl (6R)-3-(3-bromophenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-(3-bromophenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(3-bromophenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(3-bromophenyl)-4-methyl-6-(1-methyl-4-pyrazolyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(3-bromophenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3-bromophenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H17BrN4O2S MolecularWeight: 421.31148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=CC=C2)Br)C3=CN(N=C3)C)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2=CC(=CC=C2)Br)C3=CN(N=C3)C)C(=O)OC

InChI

InChI=1S/C17H17BrN4O2S/c1-10-14(16(23)24-3)15(11-8-19-21(2)9-11)20-17(25)22(10)13-6-4-5-12(18)7-13/h4-9,15H,1-3H3,(H,20,25)/t15-/m1/s1