N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-9-(pyridin-2-ylmethyl)purin-8-amine

Systemtic Name: N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-9-(pyridin-2-ylmethyl)purin-8-amine Openeye Name: N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl]-9-(2-pyridylmethyl)purin-8-amine CAS Name: N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-9-(2-pyridinylmethyl)-8-purinamine IUPAC Name: N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-9-(pyridin-2-ylmethyl)purin-8-amine Traditional Name: [1-[2-(4-methoxyphenyl)ethyl]-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)CCN2CCC(CC2)NC3=NC4=CN=CN=C4N3CC5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CN=CN=C4N3CC5=CC=CC=N5

InChI

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