7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione

Systemtic Name: 7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(phenethylamino)xanthine Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C24H27N5O5/c1-28-21-20(22(31)27-24(28)32)29(23(26-21)25-13-12-16-6-4-3-5-7-16)14-17(30)15-34-19-10-8-18(33-2)9-11-19/h3-11,17,30H,12-15H2,1-2H3,(H,25,26)(H,27,31,32)