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

Systemtic Name: N-[[3-[(9-methyl-8-pyridin-4-yl-purin-2-yl)amino]phenyl]methyl]ethanamide Openeye Name: N-[[3-[[9-methyl-8-(4-pyridyl)purin-2-yl]amino]phenyl]methyl]acetamide CAS Name: N-[[3-[(9-methyl-8-pyridin-4-yl-2-purinyl)amino]phenyl]methyl]acetamide IUPAC Name: N-[[3-[(9-methyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]methyl]acetamide Traditional Name: N-[3-[[9-methyl-8-(4-pyridyl)purin-2-yl]amino]benzyl]acetamide Formula: C20H19N7O MolecularWeight: 373.41116

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19N7O/c1-13(28)22-11-14-4-3-5-16(10-14)24-20-23-12-17-19(26-20)27(2)18(25-17)15-6-8-21-9-7-15/h3-10,12H,11H2,1-2H3,(H,22,28)(H,23,24,26)