N2-[(4-methylphenyl)methyl]-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-[(4-methylphenyl)methyl]-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: 5-nitro-6-(1-piperidyl)-N2-(p-tolylmethyl)pyrimidine-2,4-diamine CAS Name: N2-[(4-methylphenyl)methyl]-5-nitro-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[(4-methylphenyl)methyl]-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)-(4-methylbenzyl)amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H22N6O2/c1-12-5-7-13(8-6-12)11-19-17-20-15(18)14(23(24)25)16(21-17)22-9-3-2-4-10-22/h5-8H,2-4,9-11H2,1H3,(H3,18,19,20,21)