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

Systemtic Name: [2-[(8-butyl-2-methoxy-purin-9-yl)methyl]-6-phenyl-phenyl] methyl carbonate Openeye Name: [2-[(8-butyl-2-methoxy-purin-9-yl)methyl]-6-phenyl-phenyl] methyl carbonate CAS Name: carbonic acid [2-[(8-butyl-2-methoxy-9-purinyl)methyl]-6-phenylphenyl] methyl ester IUPAC Name: [2-[(8-butyl-2-methoxypurin-9-yl)methyl]-6-phenylphenyl] methyl carbonate Traditional Name: carbonic acid [2-[(8-butyl-2-methoxy-purin-9-yl)methyl]-6-phenyl-phenyl] methyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4/c1-4-5-14-21-27-20-15-26-24(31-2)28-23(20)29(21)16-18-12-9-13-19(17-10-7-6-8-11-17)22(18)33-25(30)32-3/h6-13,15H,4-5,14,16H2,1-3H3