(3S)-1-(2-chloranyl-7H-purin-6-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(4-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-4-ylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(4-pyridylmethyl)nipecotamide Formula: C17H18ClN7O MolecularWeight: 371.82412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C17H18ClN7O/c18-17-23-14-13(21-10-22-14)15(24-17)25-7-1-2-12(9-25)16(26)20-8-11-3-5-19-6-4-11/h3-6,10,12H,1-2,7-9H2,(H,20,26)(H,21,22,23,24)/t12-/m0/s1