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

Systemtic Name: N2-(3-azanylpropyl)-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3-aminopropyl)-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-aminopropyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-aminopropyl)-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-aminopropylamino)-5-nitro-pyrimidin-4-yl]-(3,4-dimethylphenyl)amine Formula: C15H21N7O2 MolecularWeight: 331.37294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N7O2/c1-9-4-5-11(8-10(9)2)19-14-12(22(23)24)13(17)20-15(21-14)18-7-3-6-16/h4-5,8H,3,6-7,16H2,1-2H3,(H4,17,18,19,20,21)