N-(2-methylphenyl)-2-[8-(9-methylpurin-6-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanamide

Systemtic Name: N-(2-methylphenyl)-2-[8-(9-methylpurin-6-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanamide Openeye Name: 2-[8-(9-methylpurin-6-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[8-(9-methyl-6-purinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]acetamide IUPAC Name: N-(2-methylphenyl)-2-[8-(9-methylpurin-6-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]acetamide Traditional Name: 2-[8-(9-methylpurin-6-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-N-(o-tolyl)acetamide Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2CC3CCC(C2)N3C4=NC=NC5=C4N=CN5C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2CC3CCC(C2)N3C4=NC=NC5=C4N=CN5C

InChI

InChI=1S/C21H25N7O/c1-14-5-3-4-6-17(14)25-18(29)11-27-9-15-7-8-16(10-27)28(15)21-19-20(22-12-23-21)26(2)13-24-19/h3-6,12-13,15-16H,7-11H2,1-2H3,(H,25,29)