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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(COC4=CC=C(C=C4)OC)O)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(COC4=CC=C(C=C4)OC)O)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C25H29N5O5/c1-16-5-7-17(8-6-16)13-26-24-27-22-21(23(32)29(3)25(33)28(22)2)30(24)14-18(31)15-35-20-11-9-19(34-4)10-12-20/h5-12,18,31H,13-15H2,1-4H3,(H,26,27)