3-[6-(azocan-1-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[6-(azocan-1-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-(azocan-1-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(1-azocanyl)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(azocan-1-yl)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(azocan-1-yl)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=C4N5CCCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCCCCC5

InChI

InChI=1S/C23H28N6O/c1-16-7-8-17(23(30)27-18-9-10-18)13-19(16)29-15-26-20-21(24-14-25-22(20)29)28-11-5-3-2-4-6-12-28/h7-8,13-15,18H,2-6,9-12H2,1H3,(H,27,30)