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

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-(2,2-dimethoxyethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(2,2-dimethoxyethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(2,2-dimethoxyethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(2,2-dimethoxyethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(2,2-dimethoxyethyl)nipecotamide Formula: C15H21ClN6O3 MolecularWeight: 368.81864

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1CCCN(C1)C2=NC(=NC3=C2NC=N3)Cl)OC

Isomeric SMILES

COC(CNC(=O)[C@H]1CCCN(C1)C2=NC(=NC3=C2NC=N3)Cl)OC

InChI

InChI=1S/C15H21ClN6O3/c1-24-10(25-2)6-17-14(23)9-4-3-5-22(7-9)13-11-12(19-8-18-11)20-15(16)21-13/h8-10H,3-7H2,1-2H3,(H,17,23)(H,18,19,20,21)/t9-/m0/s1