N-[[4-[(9-ethyl-8-pyridin-4-yl-purin-2-yl)amino]phenyl]methyl]ethanamide

Systemtic Name: N-[[4-[(9-ethyl-8-pyridin-4-yl-purin-2-yl)amino]phenyl]methyl]ethanamide Openeye Name: N-[[4-[[9-ethyl-8-(4-pyridyl)purin-2-yl]amino]phenyl]methyl]acetamide CAS Name: N-[[4-[(9-ethyl-8-pyridin-4-yl-2-purinyl)amino]phenyl]methyl]acetamide IUPAC Name: N-[[4-[(9-ethyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]methyl]acetamide Traditional Name: N-[4-[[9-ethyl-8-(4-pyridyl)purin-2-yl]amino]benzyl]acetamide Formula: C21H21N7O MolecularWeight: 387.43774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CN=C(N=C21)NC3=CC=C(C=C3)CNC(=O)C)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NC2=CN=C(N=C21)NC3=CC=C(C=C3)CNC(=O)C)C4=CC=NC=C4

InChI

InChI=1S/C21H21N7O/c1-3-28-19(16-8-10-22-11-9-16)26-18-13-24-21(27-20(18)28)25-17-6-4-15(5-7-17)12-23-14(2)29/h4-11,13H,3,12H2,1-2H3,(H,23,29)(H,24,25,27)