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

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]nipecotamide Formula: C16H19ClN8O MolecularWeight: 374.82806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN8O/c17-16-23-13-12(21-9-22-13)14(24-16)25-5-1-2-10(7-25)15(26)19-4-3-11-6-18-8-20-11/h6,8-10H,1-5,7H2,(H,18,20)(H,19,26)(H,21,22,23,24)/t10-/m0/s1