butan-2-yl 4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate

Systemtic Name: butan-2-yl 4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate Openeye Name: sec-butyl 4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-2-(methylthio)-6-(3-nitrophenyl)-5-pyrimidinecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate Traditional Name: 4-methyl-2-(methylthio)-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid sec-butyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(N=C(N=C1C)SC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)OC(=O)C1=C(N=C(N=C1C)SC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c1-5-10(2)24-16(21)14-11(3)18-17(25-4)19-15(14)12-7-6-8-13(9-12)20(22)23/h6-10H,5H2,1-4H3