2-[[9-ethyl-6-[(3-nitrophenyl)amino]purin-2-yl]amino]ethylazanium

Systemtic Name: 2-[[9-ethyl-6-[(3-nitrophenyl)amino]purin-2-yl]amino]ethylazanium Openeye Name: 2-[[9-ethyl-6-(3-nitroanilino)purin-2-yl]amino]ethylammonium CAS Name: 2-[[9-ethyl-6-(3-nitroanilino)-2-purinyl]amino]ethylammonium IUPAC Name: 2-[[9-ethyl-6-(3-nitroanilino)purin-2-yl]amino]ethylazanium Traditional Name: 2-[[9-ethyl-6-(3-nitroanilino)purin-2-yl]amino]ethylammonium Formula: C15H19N8O2+ MolecularWeight: 343.36376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])NCC[NH3+]

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])NCC[NH3+]

InChI

InChI=1S/C15H18N8O2/c1-2-22-9-18-12-13(20-15(17-7-6-16)21-14(12)22)19-10-4-3-5-11(8-10)23(24)25/h3-5,8-9H,2,6-7,16H2,1H3,(H2,17,19,20,21)/p+1