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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C

InChI

InChI=1S/C21H21N7O/c1-14(29)23-12-7-15-3-5-17(6-4-15)25-21-24-13-18-20(27-21)28(2)19(26-18)16-8-10-22-11-9-16/h3-6,8-11,13H,7,12H2,1-2H3,(H,23,29)(H,24,25,27)