6-[2-(4-methoxyphenyl)ethyl]-2-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine

Systemtic Name: 6-[2-(4-methoxyphenyl)ethyl]-2-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine Openeye Name: 6-[2-(4-methoxyphenyl)ethyl]-2-(4-piperidyl)-9-(2-pyridylmethyl)purin-8-amine CAS Name: 6-[2-(4-methoxyphenyl)ethyl]-2-(4-piperidinyl)-9-(2-pyridinylmethyl)-8-purinamine IUPAC Name: 6-[2-(4-methoxyphenyl)ethyl]-2-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine Traditional Name: [6-[2-(4-methoxyphenyl)ethyl]-2-(4-piperidyl)-9-(2-pyridylmethyl)purin-8-yl]amine Formula: C25H29N7O MolecularWeight: 443.54406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2=C3C(=NC(=N2)C4CCNCC4)N(C(=N3)N)CC5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)CCC2=C3C(=NC(=N2)C4CCNCC4)N(C(=N3)N)CC5=CC=CC=N5

InChI

InChI=1S/C25H29N7O/c1-33-20-8-5-17(6-9-20)7-10-21-22-24(31-23(29-21)18-11-14-27-15-12-18)32(25(26)30-22)16-19-4-2-3-13-28-19/h2-6,8-9,13,18,27H,7,10-12,14-16H2,1H3,(H2,26,30)