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

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

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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)NC(=O)N3C

Isomeric SMILES

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

InChI

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