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

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-pyridin-3-yl-piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-pyridyl)piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-pyridinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-pyridin-3-ylpiperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-pyridyl)nipecotamide Formula: C16H16ClN7O MolecularWeight: 357.79754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C16H16ClN7O/c17-16-22-13-12(19-9-20-13)14(23-16)24-6-2-3-10(8-24)15(25)21-11-4-1-5-18-7-11/h1,4-5,7,9-10H,2-3,6,8H2,(H,21,25)(H,19,20,22,23)/t10-/m0/s1