3-[6-(7-azabicyclo[2.2.1]heptan-7-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[6-(7-azabicyclo[2.2.1]heptan-7-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-(7-azabicyclo[2.2.1]heptan-7-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(7-azabicyclo[2.2.1]heptan-7-yl)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(7-azabicyclo[2.2.1]heptan-7-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5C6CCC5CC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5C6CCC5CC6

InChI

InChI=1S/C22H24N6O/c1-13-2-3-14(22(29)26-15-4-5-15)10-18(13)27-12-25-19-20(27)23-11-24-21(19)28-16-6-7-17(28)9-8-16/h2-3,10-12,15-17H,4-9H2,1H3,(H,26,29)