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

Systemtic Name: 3-[[4-azanyl-6-[(3,4-dimethylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propylazanium Openeye Name: 3-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]amino]propylammonium CAS Name: 3-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-2-pyrimidinyl]amino]propylammonium IUPAC Name: 3-[[4-amino-6-(3,4-dimethylanilino)-5-nitropyrimidin-2-yl]amino]propylazanium Traditional Name: 3-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]amino]propylammonium Formula: C15H22N7O2+ MolecularWeight: 332.38088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH3+])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)/p+1