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

Systemtic Name: 1-phenylethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 1-phenylethyl 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 1-phenylethyl ester IUPAC Name: 1-phenylethyl 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 1-phenylethyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OC(C)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2S/c1-9-12(8-15-14(19)16-9)13(17)18-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3,(H2,15,16,19)