N4-(3-methylphenyl)-5-nitro-2-piperidin-1-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-methylphenyl)-5-nitro-2-piperidin-1-yl-pyrimidine-4,6-diamine Openeye Name: N4-(m-tolyl)-5-nitro-2-(1-piperidyl)pyrimidine-4,6-diamine CAS Name: N4-(3-methylphenyl)-5-nitro-2-(1-piperidinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylphenyl)-5-nitro-2-piperidin-1-ylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-2-piperidino-pyrimidin-4-yl)-(m-tolyl)amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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