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

Systemtic Name: 7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(phenethylamino)xanthine Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C25H29N5O5/c1-28-22-21(23(32)29(2)25(28)33)30(24(27-22)26-14-13-17-7-5-4-6-8-17)15-18(31)16-35-20-11-9-19(34-3)10-12-20/h4-12,18,31H,13-16H2,1-3H3,(H,26,27)