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

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-(1,4-oxazepan-4-yl)purin-9-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-(1,4-oxazepan-4-yl)purin-9-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-(1,4-oxazepan-4-yl)-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-(1,4-oxazepan-4-yl)purin-9-yl]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-(1,4-oxazepan-4-yl)purin-9-yl]benzamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCOCC5

InChI

InChI=1S/C21H24N6O2/c1-14-3-4-15(21(28)25-16-5-6-16)11-17(14)27-13-24-18-19(22-12-23-20(18)27)26-7-2-9-29-10-8-26/h3-4,11-13,16H,2,5-10H2,1H3,(H,25,28)