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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)CC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C

Isomeric SMILES

CC(=O)N(C)CC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C

InChI

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