N2-(2-azanyl-2-methyl-propyl)-N6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine hydrochloride

Systemtic Name: N2-(2-azanyl-2-methyl-propyl)-N6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine hydrochloride Openeye Name: N2-(2-amino-2-methyl-propyl)-N6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine hydrochloride CAS Name: N2-(2-amino-2-methylpropyl)-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine hydrochloride IUPAC Name: 2-N-(2-amino-2-methylpropyl)-6-N-(3-chlorophenyl)-9-ethylpurine-2,6-diamine hydrochloride Traditional Name: (2-amino-2-methyl-propyl)-[6-(3-chloroanilino)-9-ethyl-purin-2-yl]amine hydrochloride Formula: C17H23Cl2N7 MolecularWeight: 396.31742

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)NCC(C)(C)N.Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)NCC(C)(C)N.Cl

InChI

InChI=1S/C17H22ClN7.ClH/c1-4-25-10-21-13-14(22-12-7-5-6-11(18)8-12)23-16(24-15(13)25)20-9-17(2,3)19;/h5-8,10H,4,9,19H2,1-3H3,(H2,20,22,23,24);1H