methyl 6-methyl-4-[(2-nitrophenyl)methylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-4-[(2-nitrophenyl)methylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-4-[(2-nitrophenyl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[(2-nitrophenyl)methylthio]-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-4-[(2-nitrophenyl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-[(2-nitrobenzyl)thio]-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H13N3O5S/c1-8-11(13(18)22-2)12(16-14(19)15-8)23-7-9-5-3-4-6-10(9)17(20)21/h3-6H,7H2,1-2H3,(H,15,16,19)