2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-6-hexoxy-9-(phenylmethyl)purine

Systemtic Name: 2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-6-hexoxy-9-(phenylmethyl)purine Openeye Name: 9-benzyl-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-6-hexoxy-purine CAS Name: 2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-6-hexoxy-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-6-hexoxypurine Traditional Name: 9-benzyl-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-6-hexoxy-purine Formula: C34H46N4O3 MolecularWeight: 558.75404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C4=CC(=C(C(=C4)C(C)(C)C)OCOC)C(C)(C)C

Isomeric SMILES

CCCCCCOC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C4=CC(=C(C(=C4)C(C)(C)C)OCOC)C(C)(C)C

InChI

InChI=1S/C34H46N4O3/c1-9-10-11-15-18-40-32-28-31(38(22-35-28)21-24-16-13-12-14-17-24)36-30(37-32)25-19-26(33(2,3)4)29(41-23-39-8)27(20-25)34(5,6)7/h12-14,16-17,19-20,22H,9-11,15,18,21,23H2,1-8H3