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

Systemtic Name: (3-methyl-4-nitro-phenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (3-methyl-4-nitro-phenyl)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-methyl-4-nitrophenyl)methyl ester IUPAC Name: (3-methyl-4-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-methyl-4-nitro-benzyl) ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC(=O)C2=C(NC(=S)NC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)COC(=O)C2=C(NC(=S)NC2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4S/c1-8-5-10(3-4-12(8)17(19)20)7-21-13(18)11-6-15-14(22)16-9(11)2/h3-5H,6-7H2,1-2H3,(H2,15,16,22)