2-piperidin-4-yl-6-(2-pyridin-2-ylethyl)-9-(thiophen-2-ylmethyl)purin-8-amine

Systemtic Name: 2-piperidin-4-yl-6-(2-pyridin-2-ylethyl)-9-(thiophen-2-ylmethyl)purin-8-amine Openeye Name: 2-(4-piperidyl)-6-[2-(2-pyridyl)ethyl]-9-(2-thienylmethyl)purin-8-amine CAS Name: 2-(4-piperidinyl)-6-[2-(2-pyridinyl)ethyl]-9-(thiophen-2-ylmethyl)-8-purinamine IUPAC Name: 2-piperidin-4-yl-6-(2-pyridin-2-ylethyl)-9-(thiophen-2-ylmethyl)purin-8-amine Traditional Name: [2-(4-piperidyl)-6-[2-(2-pyridyl)ethyl]-9-(2-thenyl)purin-8-yl]amine Formula: C22H25N7S MolecularWeight: 419.5458

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=NC(=C3C(=N2)N(C(=N3)N)CC4=CC=CS4)CCC5=CC=CC=N5

Isomeric SMILES

C1CNCCC1C2=NC(=C3C(=N2)N(C(=N3)N)CC4=CC=CS4)CCC5=CC=CC=N5

InChI

InChI=1S/C22H25N7S/c23-22-27-19-18(7-6-16-4-1-2-10-25-16)26-20(15-8-11-24-12-9-15)28-21(19)29(22)14-17-5-3-13-30-17/h1-5,10,13,15,24H,6-9,11-12,14H2,(H2,23,27)