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

Systemtic Name: ethyl (4S)-6-methyl-4-pyridin-4-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-methyl-4-(4-pyridyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-pyridin-4-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-methyl-4-pyridin-4-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-4-(4-pyridyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=NC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2S/c1-3-18-12(17)10-8(2)15-13(19)16-11(10)9-4-6-14-7-5-9/h4-7,11H,3H2,1-2H3,(H2,15,16,19)/t11-/m0/s1