3-[[4-azanyl-6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propylazanium

Systemtic Name: 3-[[4-azanyl-6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propylazanium Openeye Name: 3-[[4-amino-6-(3-methylanilino)-5-nitro-pyrimidin-2-yl]amino]propylammonium CAS Name: 3-[[4-amino-6-(3-methylanilino)-5-nitro-2-pyrimidinyl]amino]propylammonium IUPAC Name: 3-[[4-amino-6-(3-methylanilino)-5-nitropyrimidin-2-yl]amino]propylazanium Traditional Name: 3-[[4-amino-6-(m-toluidino)-5-nitro-pyrimidin-2-yl]amino]propylammonium Formula: C14H20N7O2+ MolecularWeight: 318.3543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH3+]

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)/p+1