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

Systemtic Name: propan-2-yl 4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate Openeye Name: isopropyl 4-methyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-2-(methylthio)-6-(3-nitrophenyl)-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-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 isopropyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])SC

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C16H17N3O4S/c1-9(2)23-15(20)13-10(3)17-16(24-4)18-14(13)11-6-5-7-12(8-11)19(21)22/h5-9H,1-4H3