3-[6-(3-bicyclo[2.2.1]heptanylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[6-(3-bicyclo[2.2.1]heptanylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-(norbornan-2-ylamino)purin-9-yl]benzamide CAS Name: 3-[6-(3-bicyclo[2.2.1]heptanylamino)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(3-bicyclo[2.2.1]heptanylamino)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-(2-norbornylamino)purin-9-yl]benzamide Formula: C23H26N6O MolecularWeight: 402.49214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NC5CC6CCC5C6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NC5CC6CCC5C6

InChI

InChI=1S/C23H26N6O/c1-13-2-4-16(23(30)27-17-6-7-17)10-19(13)29-12-26-20-21(24-11-25-22(20)29)28-18-9-14-3-5-15(18)8-14/h2,4,10-12,14-15,17-18H,3,5-9H2,1H3,(H,27,30)(H,24,25,28)