(3S)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(7H-purin-6-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(7H-purin-6-yl)nipecotamide Formula: C20H20N8O2 MolecularWeight: 404.4252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=NC3=C2NC=N3)C(=O)NCC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=NC3=C2NC=N3)C(=O)NCC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C20H20N8O2/c29-20(21-9-15-26-17(27-30-15)13-5-2-1-3-6-13)14-7-4-8-28(10-14)19-16-18(23-11-22-16)24-12-25-19/h1-3,5-6,11-12,14H,4,7-10H2,(H,21,29)(H,22,23,24,25)/t14-/m0/s1