2-(1,4-diazepan-4-ium-1-yl)-9-ethyl-N-(3-nitrophenyl)purin-6-amine

Systemtic Name: 2-(1,4-diazepan-4-ium-1-yl)-9-ethyl-N-(3-nitrophenyl)purin-6-amine Openeye Name: 2-(1,4-diazepan-4-ium-1-yl)-9-ethyl-N-(3-nitrophenyl)purin-6-amine CAS Name: 2-(1,4-diazepan-4-ium-1-yl)-9-ethyl-N-(3-nitrophenyl)-6-purinamine IUPAC Name: 2-(1,4-diazepan-4-ium-1-yl)-9-ethyl-N-(3-nitrophenyl)purin-6-amine Traditional Name: [2-(1,4-diazepan-4-ium-1-yl)-9-ethyl-purin-6-yl]-(3-nitrophenyl)amine Formula: C18H23N8O2+ MolecularWeight: 383.42762

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCC[NH2+]CC4

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCC[NH2+]CC4

InChI

InChI=1S/C18H22N8O2/c1-2-24-12-20-15-16(21-13-5-3-6-14(11-13)26(27)28)22-18(23-17(15)24)25-9-4-7-19-8-10-25/h3,5-6,11-12,19H,2,4,7-10H2,1H3,(H,21,22,23)/p+1