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

Systemtic Name: 6-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-2-chloranyl-5-phenyl-pyridine-3-carbonitrile Openeye Name: 6-[4-[[4-(6-aminopurin-9-yl)-1-piperidyl]methyl]phenyl]-2-chloro-5-phenyl-pyridine-3-carbonitrile CAS Name: 6-[4-[[4-(6-aminopurin-9-yl)-1-piperidinyl]methyl]phenyl]-2-chloro-5-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-2-chloro-5-phenylpyridine-3-carbonitrile Traditional Name: 6-[4-[(4-adenin-9-ylpiperidino)methyl]phenyl]-2-chloro-5-phenyl-nicotinonitrile Formula: C29H25ClN8 MolecularWeight: 521.0154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=C2N=CN=C3N)CC4=CC=C(C=C4)C5=C(C=C(C(=N5)Cl)C#N)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1N2C=NC3=C2N=CN=C3N)CC4=CC=C(C=C4)C5=C(C=C(C(=N5)Cl)C#N)C6=CC=CC=C6

InChI

InChI=1S/C29H25ClN8/c30-27-22(15-31)14-24(20-4-2-1-3-5-20)25(36-27)21-8-6-19(7-9-21)16-37-12-10-23(11-13-37)38-18-35-26-28(32)33-17-34-29(26)38/h1-9,14,17-18,23H,10-13,16H2,(H2,32,33,34)