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

Systemtic Name: 9-ethyl-N-[3-[2-(ethylamino)ethyl]phenyl]-8-pyridin-4-yl-purin-2-amine Openeye Name: 9-ethyl-N-[3-[2-(ethylamino)ethyl]phenyl]-8-(4-pyridyl)purin-2-amine CAS Name: 9-ethyl-N-[3-[2-(ethylamino)ethyl]phenyl]-8-pyridin-4-yl-2-purinamine IUPAC Name: 9-ethyl-N-[3-[2-(ethylamino)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine Traditional Name: ethyl-[2-[3-[[9-ethyl-8-(4-pyridyl)purin-2-yl]amino]phenyl]ethyl]amine Formula: C22H25N7 MolecularWeight: 387.4808

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCC1=CC(=CC=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)CC

Isomeric SMILES

CCNCCC1=CC(=CC=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)CC

InChI

InChI=1S/C22H25N7/c1-3-23-11-8-16-6-5-7-18(14-16)26-22-25-15-19-21(28-22)29(4-2)20(27-19)17-9-12-24-13-10-17/h5-7,9-10,12-15,23H,3-4,8,11H2,1-2H3,(H,25,26,28)