1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]piperidine-3-carboxamide

Systemtic Name: 1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]piperidine-3-carboxamide Openeye Name: 1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]piperidine-3-carboxamide CAS Name: 1-[9-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-6-purinyl]-3-piperidinecarboxamide IUPAC Name: 1-[9-[5-(cyclopropylcarbamoyl)-2-methylphenyl]purin-6-yl]piperidine-3-carboxamide Traditional Name: 1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]nipecotamide 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=C4N5CCCC(C5)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCC(C5)C(=O)N

InChI

InChI=1S/C22H25N7O2/c1-13-4-5-14(22(31)27-16-6-7-16)9-17(13)29-12-26-18-20(24-11-25-21(18)29)28-8-2-3-15(10-28)19(23)30/h4-5,9,11-12,15-16H,2-3,6-8,10H2,1H3,(H2,23,30)(H,27,31)