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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

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