(2S)-1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]-N,N-dimethyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]-N,N-dimethyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]-N,N-dimethyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[9-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-6-purinyl]-N,N-dimethyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[9-[5-(cyclopropylcarbamoyl)-2-methylphenyl]purin-6-yl]-N,N-dimethylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]-N,N-dimethyl-pyrrolidine-2-carboxamide Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCC5C(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCC[C@H]5C(=O)N(C)C

InChI

InChI=1S/C23H27N7O2/c1-14-6-7-15(22(31)27-16-8-9-16)11-18(14)30-13-26-19-20(24-12-25-21(19)30)29-10-4-5-17(29)23(32)28(2)3/h6-7,11-13,16-17H,4-5,8-10H2,1-3H3,(H,27,31)/t17-/m0/s1