ethyl 6-methyl-4-[(3-nitrophenyl)methylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-[(3-nitrophenyl)methylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-[(3-nitrophenyl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[(3-nitrophenyl)methylthio]-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-[(3-nitrophenyl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-[(3-nitrobenzyl)thio]-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H15N3O5S/c1-3-23-14(19)12-9(2)16-15(20)17-13(12)24-8-10-5-4-6-11(7-10)18(21)22/h4-7H,3,8H2,1-2H3,(H,16,17,20)