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

Systemtic Name: [2-[[8-butyl-2-(cyclohexylamino)purin-9-yl]methyl]-6-phenyl-phenyl] methyl carbonate Openeye Name: [2-[[8-butyl-2-(cyclohexylamino)purin-9-yl]methyl]-6-phenyl-phenyl] methyl carbonate CAS Name: carbonic acid [2-[[8-butyl-2-(cyclohexylamino)-9-purinyl]methyl]-6-phenylphenyl] methyl ester IUPAC Name: [2-[[8-butyl-2-(cyclohexylamino)purin-9-yl]methyl]-6-phenylphenyl] methyl carbonate Traditional Name: carbonic acid [2-[[8-butyl-2-(cyclohexylamino)purin-9-yl]methyl]-6-phenyl-phenyl] methyl ester Formula: C30H35N5O3 MolecularWeight: 513.6306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N5O3/c1-3-4-18-26-33-25-19-31-29(32-23-15-9-6-10-16-23)34-28(25)35(26)20-22-14-11-17-24(21-12-7-5-8-13-21)27(22)38-30(36)37-2/h5,7-8,11-14,17,19,23H,3-4,6,9-10,15-16,18,20H2,1-2H3,(H,31,32,34)