1-(2-chloranyl-7H-purin-6-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[(2-methoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-o-anisyl-isonipecotamide Formula: C19H21ClN6O2 MolecularWeight: 400.86204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

InChI

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