[3-[8-butyl-2-(butylamino)purin-9-yl]-2-methyl-6-phenyl-phenyl] methyl carbonate

Systemtic Name: [3-[8-butyl-2-(butylamino)purin-9-yl]-2-methyl-6-phenyl-phenyl] methyl carbonate Openeye Name: [3-[8-butyl-2-(butylamino)purin-9-yl]-2-methyl-6-phenyl-phenyl] methyl carbonate CAS Name: carbonic acid [3-[8-butyl-2-(butylamino)-9-purinyl]-2-methyl-6-phenylphenyl] methyl ester IUPAC Name: [3-[8-butyl-2-(butylamino)purin-9-yl]-2-methyl-6-phenylphenyl] methyl carbonate Traditional Name: carbonic acid [3-[8-butyl-2-(butylamino)purin-9-yl]-2-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=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC)C)NCCCC

Isomeric SMILES

CCCCC1=NC2=CN=C(N=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC)C)NCCCC

InChI

InChI=1S/C28H33N5O3/c1-5-7-14-24-31-22-18-30-27(29-17-8-6-2)32-26(22)33(24)23-16-15-21(20-12-10-9-11-13-20)25(19(23)3)36-28(34)35-4/h9-13,15-16,18H,5-8,14,17H2,1-4H3,(H,29,30,32)