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

Systemtic Name: N-[[4-[(9-ethyl-8-pyridin-4-yl-purin-2-yl)amino]phenyl]methyl]-N-methyl-ethanamide Openeye Name: N-[[4-[[9-ethyl-8-(4-pyridyl)purin-2-yl]amino]phenyl]methyl]-N-methyl-acetamide CAS Name: N-[[4-[(9-ethyl-8-pyridin-4-yl-2-purinyl)amino]phenyl]methyl]-N-methylacetamide IUPAC Name: N-[[4-[(9-ethyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]methyl]-N-methylacetamide Traditional Name: N-[4-[[9-ethyl-8-(4-pyridyl)purin-2-yl]amino]benzyl]-N-methyl-acetamide Formula: C22H23N7O MolecularWeight: 401.46432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N7O/c1-4-29-20(17-9-11-23-12-10-17)26-19-13-24-22(27-21(19)29)25-18-7-5-16(6-8-18)14-28(3)15(2)30/h5-13H,4,14H2,1-3H3,(H,24,25,27)