9-ethyl-N2-[2-(1H-imidazol-5-yl)ethyl]-N6-(3-methoxyphenyl)purine-2,6-diamine

Systemtic Name: 9-ethyl-N2-[2-(1H-imidazol-5-yl)ethyl]-N6-(3-methoxyphenyl)purine-2,6-diamine Openeye Name: 9-ethyl-N2-[2-(1H-imidazol-5-yl)ethyl]-N6-(3-methoxyphenyl)purine-2,6-diamine CAS Name: 9-ethyl-N2-[2-(1H-imidazol-5-yl)ethyl]-N6-(3-methoxyphenyl)purine-2,6-diamine IUPAC Name: 9-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-6-N-(3-methoxyphenyl)purine-2,6-diamine Traditional Name: [9-ethyl-2-[2-(1H-imidazol-5-yl)ethylamino]purin-6-yl]-(3-methoxyphenyl)amine Formula: C19H22N8O MolecularWeight: 378.43098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)OC)NCCC4=CN=CN4

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)OC)NCCC4=CN=CN4

InChI

InChI=1S/C19H22N8O/c1-3-27-12-23-16-17(24-13-5-4-6-15(9-13)28-2)25-19(26-18(16)27)21-8-7-14-10-20-11-22-14/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,22)(H2,21,24,25,26)