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

Systemtic Name: 3-[6-(3-acetamidopyrrolidin-1-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-(3-acetamidopyrrolidin-1-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(3-acetamido-1-pyrrolidinyl)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(3-acetamidopyrrolidin-1-yl)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(3-acetamidopyrrolidino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCC(C5)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCC(C5)NC(=O)C

InChI

InChI=1S/C22H25N7O2/c1-13-3-4-15(22(31)27-16-5-6-16)9-18(13)29-12-25-19-20(23-11-24-21(19)29)28-8-7-17(10-28)26-14(2)30/h3-4,9,11-12,16-17H,5-8,10H2,1-2H3,(H,26,30)(H,27,31)