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

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-(4-methyl-1,4-diazepan-1-yl)purin-9-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-(4-methyl-1,4-diazepan-1-yl)purin-9-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-(4-methyl-1,4-diazepan-1-yl)-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-(4-methyl-1,4-diazepan-1-yl)purin-9-yl]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-(4-methyl-1,4-diazepan-1-yl)purin-9-yl]benzamide Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCN(CC5)C

InChI

InChI=1S/C22H27N7O/c1-15-4-5-16(22(30)26-17-6-7-17)12-18(15)29-14-25-19-20(23-13-24-21(19)29)28-9-3-8-27(2)10-11-28/h4-5,12-14,17H,3,6-11H2,1-2H3,(H,26,30)