9-[2-(4-aminophenyl)ethyl]-N-(3-methoxyphenyl)purin-6-amine

Systemtic Name: 9-[2-(4-aminophenyl)ethyl]-N-(3-methoxyphenyl)purin-6-amine Openeye Name: 9-[2-(4-aminophenyl)ethyl]-N-(3-methoxyphenyl)purin-6-amine CAS Name: 9-[2-(4-aminophenyl)ethyl]-N-(3-methoxyphenyl)-6-purinamine IUPAC Name: 9-[2-(4-aminophenyl)ethyl]-N-(3-methoxyphenyl)purin-6-amine Traditional Name: [9-[2-(4-aminophenyl)ethyl]purin-6-yl]-(3-methoxyphenyl)amine Formula: C20H20N6O MolecularWeight: 360.4124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC3=C2N=CN3CCC4=CC=C(C=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC3=C2N=CN3CCC4=CC=C(C=C4)N

InChI

InChI=1S/C20H20N6O/c1-27-17-4-2-3-16(11-17)25-19-18-20(23-12-22-19)26(13-24-18)10-9-14-5-7-15(21)8-6-14/h2-8,11-13H,9-10,21H2,1H3,(H,22,23,25)