N2-methyl-5-nitro-N2-phenyl-6-piperidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-methyl-5-nitro-N2-phenyl-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-methyl-5-nitro-N2-phenyl-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: N2-methyl-5-nitro-N2-phenyl-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-methyl-5-nitro-2-N-phenyl-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)-methyl-phenyl-amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C16H20N6O2/c1-20(12-8-4-2-5-9-12)16-18-14(17)13(22(23)24)15(19-16)21-10-6-3-7-11-21/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,17,18,19)