3-phenylprop-2-ynyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-phenylprop-2-ynyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-phenylprop-2-ynyl 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-phenylprop-2-ynyl ester IUPAC Name: 3-phenylprop-2-ynyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-phenylprop-2-ynyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OCC#CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OCC#CC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O3S/c1-11-14(13(10-19)18-16(22)17-11)15(20)21-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,19H,9-10H2,1H3,(H2,17,18,22)