N-cyclopropyl-3-[6-(2,2-dimethylpropylamino)purin-9-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[6-(2,2-dimethylpropylamino)purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-(2,2-dimethylpropylamino)purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-(2,2-dimethylpropylamino)-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-(2,2-dimethylpropylamino)purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-(neopentylamino)purin-9-yl]benzamide Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NCC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NCC(C)(C)C

InChI

InChI=1S/C21H26N6O/c1-13-5-6-14(20(28)26-15-7-8-15)9-16(13)27-12-25-17-18(22-10-21(2,3)4)23-11-24-19(17)27/h5-6,9,11-12,15H,7-8,10H2,1-4H3,(H,26,28)(H,22,23,24)