4-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine; ethanedioic acid

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine; ethanedioic acid Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-(4-methyl-1-piperidyl)-5-nitro-pyrimidine; oxalic acid CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-6-methyl-2-(4-methyl-1-piperidinyl)-5-nitropyrimidine; oxalic acid IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine; oxalic acid Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-(4-methylpiperidino)-5-nitro-pyrimidine; oxalic acid Formula: C18H24N6O6 MolecularWeight: 420.41976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=C(C(=N2)N3C(=CC(=N3)C)C)[N+](=O)[O-])C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCN(CC1)C2=NC(=C(C(=N2)N3C(=CC(=N3)C)C)[N+](=O)[O-])C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22N6O2.C2H2O4/c1-10-5-7-20(8-6-10)16-17-13(4)14(22(23)24)15(18-16)21-12(3)9-11(2)19-21;3-1(4)2(5)6/h9-10H,5-8H2,1-4H3;(H,3,4)(H,5,6)