N-[[3-[(9-cyclopropyl-8-pyridin-4-yl-purin-2-yl)amino]phenyl]methyl]ethanamide

Systemtic Name: N-[[3-[(9-cyclopropyl-8-pyridin-4-yl-purin-2-yl)amino]phenyl]methyl]ethanamide Openeye Name: N-[[3-[[9-cyclopropyl-8-(4-pyridyl)purin-2-yl]amino]phenyl]methyl]acetamide CAS Name: N-[[3-[(9-cyclopropyl-8-pyridin-4-yl-2-purinyl)amino]phenyl]methyl]acetamide IUPAC Name: N-[[3-[(9-cyclopropyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]methyl]acetamide Traditional Name: N-[3-[[9-cyclopropyl-8-(4-pyridyl)purin-2-yl]amino]benzyl]acetamide Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC(=CC=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C5CC5

Isomeric SMILES

CC(=O)NCC1=CC(=CC=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C5CC5

InChI

InChI=1S/C22H21N7O/c1-14(30)24-12-15-3-2-4-17(11-15)26-22-25-13-19-21(28-22)29(18-5-6-18)20(27-19)16-7-9-23-10-8-16/h2-4,7-11,13,18H,5-6,12H2,1H3,(H,24,30)(H,25,26,28)