(2S)-1-[8-[(4-oxidanyl-4-phenyl-piperidin-1-yl)methyl]-2-phenyl-7H-purin-6-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[8-[(4-oxidanyl-4-phenyl-piperidin-1-yl)methyl]-2-phenyl-7H-purin-6-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[8-[(4-hydroxy-4-phenyl-1-piperidyl)methyl]-2-phenyl-7H-purin-6-yl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[8-[(4-hydroxy-4-phenyl-1-piperidinyl)methyl]-2-phenyl-7H-purin-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[8-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenyl-7H-purin-6-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[8-[(4-hydroxy-4-phenyl-piperidino)methyl]-2-phenyl-7H-purin-6-yl]pyrrolidine-2-carboxamide Formula: C28H31N7O2 MolecularWeight: 497.59144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NC3=C2NC(=N3)CN4CCC(CC4)(C5=CC=CC=C5)O)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C2=NC(=NC3=C2NC(=N3)CN4CCC(CC4)(C5=CC=CC=C5)O)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C28H31N7O2/c29-24(36)21-12-7-15-35(21)27-23-26(32-25(33-27)19-8-3-1-4-9-19)31-22(30-23)18-34-16-13-28(37,14-17-34)20-10-5-2-6-11-20/h1-6,8-11,21,37H,7,12-18H2,(H2,29,36)(H,30,31,32,33)/t21-/m0/s1