N4-(4-methylphenyl)-5-nitro-2-piperidin-1-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methylphenyl)-5-nitro-2-piperidin-1-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-2-(1-piperidyl)-N4-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(4-methylphenyl)-5-nitro-2-(1-piperidinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylphenyl)-5-nitro-2-piperidin-1-ylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-2-piperidino-pyrimidin-4-yl)-(p-tolyl)amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCC3

InChI

InChI=1S/C16H20N6O2/c1-11-5-7-12(8-6-11)18-15-13(22(23)24)14(17)19-16(20-15)21-9-3-2-4-10-21/h5-8H,2-4,9-10H2,1H3,(H3,17,18,19,20)