7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C24H27N5O5/c1-27-21-20(22(31)28(2)24(27)32)29(23(26-21)25-13-16-7-5-4-6-8-16)14-17(30)15-34-19-11-9-18(33-3)10-12-19/h4-12,17,30H,13-15H2,1-3H3,(H,25,26)