(3S)-1-(2-chloranyl-7H-purin-6-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[(3-methoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-m-anisyl-nipecotamide Formula: C19H21ClN6O2 MolecularWeight: 400.86204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)[C@H]2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C19H21ClN6O2/c1-28-14-6-2-4-12(8-14)9-21-18(27)13-5-3-7-26(10-13)17-15-16(23-11-22-15)24-19(20)25-17/h2,4,6,8,11,13H,3,5,7,9-10H2,1H3,(H,21,27)(H,22,23,24,25)/t13-/m0/s1