[2-[[8-butyl-2-(cyclohexylamino)purin-9-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[8-butyl-2-(cyclohexylamino)purin-9-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[8-butyl-2-(cyclohexylamino)purin-9-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[8-butyl-2-(cyclohexylamino)-9-purinyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[8-butyl-2-(cyclohexylamino)purin-9-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[8-butyl-2-(cyclohexylamino)purin-9-yl]methyl]-6-phenyl-phenyl] ester Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CN=C(N=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=CN=C(N=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)NC5CCCCC5

InChI

InChI=1S/C29H33N5O3/c1-2-3-17-25-32-24-18-30-28(31-22-14-8-5-9-15-22)33-27(24)34(25)19-21-13-10-16-23(26(21)37-29(35)36)20-11-6-4-7-12-20/h4,6-7,10-13,16,18,22H,2-3,5,8-9,14-15,17,19H2,1H3,(H,35,36)(H,30,31,33)