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

Systemtic Name: N-[4-[2-(cyclopropylamino)ethyl]phenyl]-9-ethyl-8-pyridin-4-yl-purin-2-amine Openeye Name: N-[4-[2-(cyclopropylamino)ethyl]phenyl]-9-ethyl-8-(4-pyridyl)purin-2-amine CAS Name: N-[4-[2-(cyclopropylamino)ethyl]phenyl]-9-ethyl-8-pyridin-4-yl-2-purinamine IUPAC Name: N-[4-[2-(cyclopropylamino)ethyl]phenyl]-9-ethyl-8-pyridin-4-ylpurin-2-amine Traditional Name: cyclopropyl-[2-[4-[[9-ethyl-8-(4-pyridyl)purin-2-yl]amino]phenyl]ethyl]amine Formula: C23H25N7 MolecularWeight: 399.4915

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CN=C(N=C21)NC3=CC=C(C=C3)CCNC4CC4)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NC2=CN=C(N=C21)NC3=CC=C(C=C3)CCNC4CC4)C5=CC=NC=C5

InChI

InChI=1S/C23H25N7/c1-2-30-21(17-10-12-24-13-11-17)28-20-15-26-23(29-22(20)30)27-19-5-3-16(4-6-19)9-14-25-18-7-8-18/h3-6,10-13,15,18,25H,2,7-9,14H2,1H3,(H,26,27,29)