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

Systemtic Name: 2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-9-(phenylmethyl)-6-propoxy-purine Openeye Name: 9-benzyl-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-6-propoxy-purine CAS Name: 2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-9-(phenylmethyl)-6-propoxypurine IUPAC Name: 9-benzyl-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-6-propoxypurine Traditional Name: 9-benzyl-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-6-propoxy-purine Formula: C31H40N4O3 MolecularWeight: 516.6743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C4=CC(=C(C(=C4)C(C)(C)C)OCOC)C(C)(C)C

Isomeric SMILES

CCCOC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C4=CC(=C(C(=C4)C(C)(C)C)OCOC)C(C)(C)C

InChI

InChI=1S/C31H40N4O3/c1-9-15-37-29-25-28(35(19-32-25)18-21-13-11-10-12-14-21)33-27(34-29)22-16-23(30(2,3)4)26(38-20-36-8)24(17-22)31(5,6)7/h10-14,16-17,19H,9,15,18,20H2,1-8H3