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

Systemtic Name: ethyl (6S)-3-(3,5-dimethylphenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3,5-dimethylphenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3,5-dimethylphenyl)-4-methyl-6-(1-methyl-4-pyrazolyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3,5-dimethylphenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3,5-dimethylphenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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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)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-6-26-19(25)17-14(4)24(16-8-12(2)7-13(3)9-16)20(27)22-18(17)15-10-21-23(5)11-15/h7-11,18H,6H2,1-5H3,(H,22,27)/t18-/m0/s1