3-[6-(tert-butylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[6-(tert-butylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-(tert-butylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(tert-butylamino)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(tert-butylamino)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(tert-butylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NC(C)(C)C

InChI

InChI=1S/C20H24N6O/c1-12-5-6-13(19(27)24-14-7-8-14)9-15(12)26-11-23-16-17(25-20(2,3)4)21-10-22-18(16)26/h5-6,9-11,14H,7-8H2,1-4H3,(H,24,27)(H,21,22,25)