N2-(2-azanylethyl)-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine hydrochloride

Systemtic Name: N2-(2-azanylethyl)-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine hydrochloride Openeye Name: N2-(2-aminoethyl)-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine hydrochloride CAS Name: N2-(2-aminoethyl)-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine hydrochloride IUPAC Name: 2-N-(2-aminoethyl)-9-ethyl-6-N-(3-nitrophenyl)purine-2,6-diamine hydrochloride Traditional Name: 2-aminoethyl-[9-ethyl-6-(3-nitroanilino)purin-2-yl]amine hydrochloride Formula: C15H19ClN8O2 MolecularWeight: 378.81676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])NCCN.Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])NCCN.Cl

InChI

InChI=1S/C15H18N8O2.ClH/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);1H