2-(4-methylpiperidin-1-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-(4-methylpiperidin-1-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 2-(4-methyl-1-piperidyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-nitro-pyrimidin-4-amine CAS Name: 2-(4-methyl-1-piperidinyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-nitro-4-pyrimidinamine IUPAC Name: 2-(4-methylpiperidin-1-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-(4-methylpiperidino)-5-nitro-pyrimidin-4-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)amine Formula: C13H18N8O2 MolecularWeight: 318.33442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC=C(C(=N2)NC3=NNC(=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=NC=C(C(=N2)NC3=NNC(=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N8O2/c1-8-3-5-20(6-4-8)13-14-7-10(21(22)23)11(17-13)16-12-15-9(2)18-19-12/h7-8H,3-6H2,1-2H3,(H2,14,15,16,17,18,19)