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

Systemtic Name: ethyl (6S)-3-(3-bromophenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3-bromophenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-bromophenyl)-4-methyl-6-(1-methyl-4-pyrazolyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3-bromophenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-bromophenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CN(N=C2)C)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C18H19BrN4O2S/c1-4-25-17(24)15-11(2)23(14-7-5-6-13(19)8-14)18(26)21-16(15)12-9-20-22(3)10-12/h5-10,16H,4H2,1-3H3,(H,21,26)/t16-/m0/s1