N6-(3-chlorophenyl)-9-ethyl-N2-(3-methoxypropyl)purine-2,6-diamine

Systemtic Name: N6-(3-chlorophenyl)-9-ethyl-N2-(3-methoxypropyl)purine-2,6-diamine Openeye Name: N6-(3-chlorophenyl)-9-ethyl-N2-(3-methoxypropyl)purine-2,6-diamine CAS Name: N6-(3-chlorophenyl)-9-ethyl-N2-(3-methoxypropyl)purine-2,6-diamine IUPAC Name: 6-N-(3-chlorophenyl)-9-ethyl-2-N-(3-methoxypropyl)purine-2,6-diamine Traditional Name: [6-(3-chloroanilino)-9-ethyl-purin-2-yl]-(3-methoxypropyl)amine Formula: C17H21ClN6O MolecularWeight: 360.84124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6O/c1-3-24-11-20-14-15(21-13-7-4-6-12(18)10-13)22-17(23-16(14)24)19-8-5-9-25-2/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H2,19,21,22,23)