N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(2-methyl-1-piperidyl)-5-nitro-N-(o-tolyl)pyrimidin-4-amine CAS Name: N-(2-methylphenyl)-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]-(o-tolyl)amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2/c1-12-7-3-4-9-14(12)20-16-15(22(23)24)17(19-11-18-16)21-10-6-5-8-13(21)2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3,(H,18,19,20)