N-(2-methylphenyl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2-methylphenyl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3-methyl-1-piperidyl)-5-nitro-N-(o-tolyl)pyrimidin-4-amine CAS Name: N-(2-methylphenyl)-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2-methylphenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]-(o-tolyl)amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=CC=C3C)[N+](=O)[O-]

InChI

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