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

Systemtic Name: (4-hydroxyphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4-hydroxyphenyl)methyl 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 (4-hydroxyphenyl)methyl ester IUPAC Name: (4-hydroxyphenyl)methyl 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 (4-hydroxybenzyl) ester Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=C(C=C2)O

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=C(C=C2)O

InChI

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