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

Systemtic Name: 2-[[9-ethyl-6-[(3-nitrophenyl)amino]purin-2-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[9-ethyl-6-(3-nitroanilino)purin-2-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[9-ethyl-6-(3-nitroanilino)-2-purinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[9-ethyl-6-(3-nitroanilino)purin-2-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[9-ethyl-6-(3-nitroanilino)purin-2-yl]amino]ethyl-dimethyl-ammonium Formula: C17H23N8O2+ MolecularWeight: 371.41692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N8O2/c1-4-24-11-19-14-15(20-12-6-5-7-13(10-12)25(26)27)21-17(22-16(14)24)18-8-9-23(2)3/h5-7,10-11H,4,8-9H2,1-3H3,(H2,18,20,21,22)/p+1