9-ethyl-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8-pyridin-4-yl-purin-2-amine

Systemtic Name: 9-ethyl-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8-pyridin-4-yl-purin-2-amine Openeye Name: 9-ethyl-N-[3-[2-(1-piperidyl)ethoxy]phenyl]-8-(4-pyridyl)purin-2-amine CAS Name: 9-ethyl-N-[3-[2-(1-piperidinyl)ethoxy]phenyl]-8-pyridin-4-yl-2-purinamine IUPAC Name: 9-ethyl-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8-pyridin-4-ylpurin-2-amine Traditional Name: [9-ethyl-8-(4-pyridyl)purin-2-yl]-[3-(2-piperidinoethoxy)phenyl]amine Formula: C25H29N7O MolecularWeight: 443.54406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CN=C(N=C21)NC3=CC(=CC=C3)OCCN4CCCCC4)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NC2=CN=C(N=C21)NC3=CC(=CC=C3)OCCN4CCCCC4)C5=CC=NC=C5

InChI

InChI=1S/C25H29N7O/c1-2-32-23(19-9-11-26-12-10-19)29-22-18-27-25(30-24(22)32)28-20-7-6-8-21(17-20)33-16-15-31-13-4-3-5-14-31/h6-12,17-18H,2-5,13-16H2,1H3,(H,27,28,30)