(3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)nipecotamide Formula: C16H20N8O MolecularWeight: 340.383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=NC3=C2NC=N3)C(=O)NCCC4=CN=CN4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=NC3=C2NC=N3)C(=O)NCCC4=CN=CN4

InChI

InChI=1S/C16H20N8O/c25-16(18-4-3-12-6-17-8-19-12)11-2-1-5-24(7-11)15-13-14(21-9-20-13)22-10-23-15/h6,8-11H,1-5,7H2,(H,17,19)(H,18,25)(H,20,21,22,23)/t11-/m0/s1