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

Systemtic Name: ethyl (4S)-4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(1-ethyl-3-methyl-4-pyrazolyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(1-ethyl-3-methylpyrazol-4-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2C(=C(NC(=S)N2)C)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCC

InChI

InChI=1S/C14H20N4O2S/c1-5-18-7-10(8(3)17-18)12-11(13(19)20-6-2)9(4)15-14(21)16-12/h7,12H,5-6H2,1-4H3,(H2,15,16,21)/t12-/m0/s1