3-[6-(cycloheptylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[6-(cycloheptylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-(cycloheptylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(cycloheptylamino)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(cycloheptylamino)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(cycloheptylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NC5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NC5CCCCCC5

InChI

InChI=1S/C23H28N6O/c1-15-8-9-16(23(30)28-18-10-11-18)12-19(15)29-14-26-20-21(24-13-25-22(20)29)27-17-6-4-2-3-5-7-17/h8-9,12-14,17-18H,2-7,10-11H2,1H3,(H,28,30)(H,24,25,27)