N2-(3-azanylpropyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3-azanylpropyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3-aminopropyl)-N4-(m-tolyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-aminopropyl)-N4-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-aminopropyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-aminopropylamino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C14H19N7O2 MolecularWeight: 317.34636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N7O2/c1-9-4-2-5-10(8-9)18-13-11(21(22)23)12(16)19-14(20-13)17-7-3-6-15/h2,4-5,8H,3,6-7,15H2,1H3,(H4,16,17,18,19,20)