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

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

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