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

Systemtic Name: 6-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carbonitrile Openeye Name: 6-[4-[[4-(6-aminopurin-9-yl)-1-piperidyl]methyl]phenyl]-5-phenyl-pyridine-3-carbonitrile CAS Name: 6-[4-[[4-(6-aminopurin-9-yl)-1-piperidinyl]methyl]phenyl]-5-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-[4-[[4-(6-aminopurin-9-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile Traditional Name: 6-[4-[(4-adenin-9-ylpiperidino)methyl]phenyl]-5-phenyl-nicotinonitrile Formula: C29H26N8 MolecularWeight: 486.57034

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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)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)C#N)C6=CC=CC=C6

InChI

InChI=1S/C29H26N8/c30-15-21-14-25(22-4-2-1-3-5-22)26(32-16-21)23-8-6-20(7-9-23)17-36-12-10-24(11-13-36)37-19-35-27-28(31)33-18-34-29(27)37/h1-9,14,16,18-19,24H,10-13,17H2,(H2,31,33,34)