pyridin-2-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: pyridin-2-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-pyridylmethyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-pyridylmethyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=N2

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=N2

InChI

InChI=1S/C12H13N3O2S/c1-8-10(6-14-12(18)15-8)11(16)17-7-9-4-2-3-5-13-9/h2-5H,6-7H2,1H3,(H2,14,15,18)