2-[[[8-[(3-chloranylphenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]methyl]-N-methyl-piperidine-1-carboxamide

Systemtic Name: 2-[[[8-[(3-chloranylphenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]methyl]-N-methyl-piperidine-1-carboxamide Openeye Name: 2-[[[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]methyl]-N-methyl-piperidine-1-carboxamide CAS Name: 2-[[[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]methyl]-N-methyl-1-piperidinecarboxamide IUPAC Name: 2-[[[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]methyl]-N-methylpiperidine-1-carboxamide Traditional Name: 2-[[[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]methyl]-N-methyl-piperidine-1-carboxamide Formula: C26H28ClN7O2 MolecularWeight: 505.99922

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1CCCCC1CNC2=NC(=NC3=C2NC(=N3)COC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CNC(=O)N1CCCCC1CNC2=NC(=NC3=C2NC(=N3)COC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H28ClN7O2/c1-28-26(35)34-13-6-5-11-19(34)15-29-24-22-25(33-23(32-24)17-8-3-2-4-9-17)31-21(30-22)16-36-20-12-7-10-18(27)14-20/h2-4,7-10,12,14,19H,5-6,11,13,15-16H2,1H3,(H,28,35)(H2,29,30,31,32,33)