(phenylmethyl) 6-methoxy-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-methoxy-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 6-methoxy-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methoxy-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methoxy-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methoxy-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O3S/c1-17-11-10(7-14-13(19)15-11)12(16)18-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,14,15,19)