6-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-2-chloranyl-5-phenyl-pyridine-3-carboxamide

Systemtic Name: 6-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-2-chloranyl-5-phenyl-pyridine-3-carboxamide Openeye Name: 6-[4-[[4-(6-aminopurin-9-yl)-1-piperidyl]methyl]phenyl]-2-chloro-5-phenyl-pyridine-3-carboxamide CAS Name: 6-[4-[[4-(6-aminopurin-9-yl)-1-piperidinyl]methyl]phenyl]-2-chloro-5-phenyl-3-pyridinecarboxamide IUPAC Name: 6-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-2-chloro-5-phenylpyridine-3-carboxamide Traditional Name: 6-[4-[(4-adenin-9-ylpiperidino)methyl]phenyl]-2-chloro-5-phenyl-nicotinamide Formula: C29H27ClN8O MolecularWeight: 539.03068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=C2N=CN=C3N)CC4=CC=C(C=C4)C5=NC(=C(C=C5C6=CC=CC=C6)C(=O)N)Cl

Isomeric SMILES

C1CN(CCC1N2C=NC3=C2N=CN=C3N)CC4=CC=C(C=C4)C5=NC(=C(C=C5C6=CC=CC=C6)C(=O)N)Cl

InChI

InChI=1S/C29H27ClN8O/c30-26-23(28(32)39)14-22(19-4-2-1-3-5-19)24(36-26)20-8-6-18(7-9-20)15-37-12-10-21(11-13-37)38-17-35-25-27(31)33-16-34-29(25)38/h1-9,14,16-17,21H,10-13,15H2,(H2,32,39)(H2,31,33,34)