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

Systemtic Name: (2-nitrophenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (2-nitrophenyl)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 (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)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 (2-nitrobenzyl) ester Formula: C13H13N3O4S MolecularWeight: 307.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-8-10(6-14-13(21)15-8)12(17)20-7-9-4-2-3-5-11(9)16(18)19/h2-5H,6-7H2,1H3,(H2,14,15,21)