tert-butyl [2-[[8-butyl-2-[(phenylmethyl)amino]purin-9-yl]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[8-butyl-2-[(phenylmethyl)amino]purin-9-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: [2-[[2-(benzylamino)-8-butyl-purin-9-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[[8-butyl-2-[(phenylmethyl)amino]-9-purinyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-(benzylamino)-8-butylpurin-9-yl]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [2-[[2-(benzylamino)-8-butyl-purin-9-yl]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C34H37N5O3 MolecularWeight: 563.68928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CN=C(N=C2N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)NCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=CN=C(N=C2N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)NCC5=CC=CC=C5

InChI

InChI=1S/C34H37N5O3/c1-5-6-20-29-37-28-22-36-32(35-21-24-14-9-7-10-15-24)38-31(28)39(29)23-26-18-13-19-27(25-16-11-8-12-17-25)30(26)41-33(40)42-34(2,3)4/h7-19,22H,5-6,20-21,23H2,1-4H3,(H,35,36,38)