3-[[4-azanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-azanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-5-nitro-6-[(phenylmethyl)amino]-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C16H24N7O2+ MolecularWeight: 346.40746

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

C[NH+](C)CCCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H23N7O2/c1-22(2)10-6-9-18-16-20-14(17)13(23(24)25)15(21-16)19-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H4,17,18,19,20,21)/p+1