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

Systemtic Name: [2-[[8-butyl-2-(butylamino)purin-9-yl]methyl]-6-phenyl-phenyl] methyl carbonate Openeye Name: [2-[[8-butyl-2-(butylamino)purin-9-yl]methyl]-6-phenyl-phenyl] methyl carbonate CAS Name: carbonic acid [2-[[8-butyl-2-(butylamino)-9-purinyl]methyl]-6-phenylphenyl] methyl ester IUPAC Name: [2-[[8-butyl-2-(butylamino)purin-9-yl]methyl]-6-phenylphenyl] methyl carbonate Traditional Name: carbonic acid [2-[[8-butyl-2-(butylamino)purin-9-yl]methyl]-6-phenyl-phenyl] methyl ester Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O3/c1-4-6-16-24-31-23-18-30-27(29-17-7-5-2)32-26(23)33(24)19-21-14-11-15-22(20-12-9-8-10-13-20)25(21)36-28(34)35-3/h8-15,18H,4-7,16-17,19H2,1-3H3,(H,29,30,32)