N2-(3-chlorophenyl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-chlorophenyl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3-chlorophenyl)-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3-chlorophenyl)-6-(4-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3-chlorophenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperidino)-5-nitro-pyrimidin-2-yl]-(3-chlorophenyl)amine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN6O2/c1-10-5-7-22(8-6-10)15-13(23(24)25)14(18)20-16(21-15)19-12-4-2-3-11(17)9-12/h2-4,9-10H,5-8H2,1H3,(H3,18,19,20,21)