ethyl (4S)-6-methyl-4-(1-methylpyrazol-4-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-methyl-4-(1-methylpyrazol-4-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-methyl-4-(1-methylpyrazol-4-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-(1-methyl-4-pyrazolyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-methyl-4-(1-methylpyrazol-4-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-4-(1-methylpyrazol-4-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CN(N=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2S/c1-4-18-11(17)9-7(2)14-12(19)15-10(9)8-5-13-16(3)6-8/h5-6,10H,4H2,1-3H3,(H2,14,15,19)/t10-/m0/s1