N2-(2-methoxyethyl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(2-methoxyethyl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(2-methoxyethyl)-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(2-methoxyethyl)-6-(4-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(2-methoxyethyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperidino)-5-nitro-pyrimidin-2-yl]-(2-methoxyethyl)amine Formula: C13H22N6O3 MolecularWeight: 310.35218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC(=N2)NCCOC)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC(=N2)NCCOC)N)[N+](=O)[O-]

InChI

InChI=1S/C13H22N6O3/c1-9-3-6-18(7-4-9)12-10(19(20)21)11(14)16-13(17-12)15-5-8-22-2/h9H,3-8H2,1-2H3,(H3,14,15,16,17)