(3S)-1-(2-chloranyl-7H-purin-6-yl)-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[3-(1-imidazolyl)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-imidazol-1-ylpropyl)nipecotamide Formula: C17H21ClN8O MolecularWeight: 388.85464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C17H21ClN8O/c18-17-23-14-13(21-10-22-14)15(24-17)26-7-1-3-12(9-26)16(27)20-4-2-6-25-8-5-19-11-25/h5,8,10-12H,1-4,6-7,9H2,(H,20,27)(H,21,22,23,24)/t12-/m0/s1