N4-[6-(5-nitro-2,3-dihydroindol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine hydrochloride

Systemtic Name: N4-[6-(5-nitro-2,3-dihydroindol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine hydrochloride Openeye Name: N4-[6-(5-nitroindolin-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine hydrochloride CAS Name: N4-[6-(5-nitro-2,3-dihydroindol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine hydrochloride IUPAC Name: 4-N-[6-(5-nitro-2,3-dihydroindol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine hydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(5-nitroindolin-1-yl)-7H-purin-2-yl]amine hydrochloride Formula: C19H23ClN8O2 MolecularWeight: 430.89132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)N4CCC5=C4C=CC(=C5)[N+](=O)[O-])NC=N3.Cl

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)N4CCC5=C4C=CC(=C5)[N+](=O)[O-])NC=N3.Cl

InChI

InChI=1S/C19H22N8O2.ClH/c20-12-1-3-13(4-2-12)23-19-24-17-16(21-10-22-17)18(25-19)26-8-7-11-9-14(27(28)29)5-6-15(11)26;/h5-6,9-10,12-13H,1-4,7-8,20H2,(H2,21,22,23,24,25);1H