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

Systemtic Name: (4-nitrophenyl)methyl 4,6-dimethyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: (4-nitrophenyl)methyl 4,6-dimethyl-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4,6-dimethyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4,6-dimethyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 4,6-dimethyl-2-thioxo-1H-pyrimidine-5-carboxylic acid (4-nitrobenzyl) ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S/c1-8-12(9(2)16-14(22)15-8)13(18)21-7-10-3-5-11(6-4-10)17(19)20/h3-6H,7H2,1-2H3,(H,15,16,22)