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

Systemtic Name: 3-[6-(azepan-1-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-(azepan-1-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(1-azepanyl)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(azepan-1-yl)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(azepan-1-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCCCC5

InChI

InChI=1S/C22H26N6O/c1-15-6-7-16(22(29)26-17-8-9-17)12-18(15)28-14-25-19-20(23-13-24-21(19)28)27-10-4-2-3-5-11-27/h6-7,12-14,17H,2-5,8-11H2,1H3,(H,26,29)