1-[2-(4-methoxyphenoxy)ethyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-(4-methoxyphenoxy)ethyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isobutyl-1-[2-(4-methoxyphenoxy)ethyl]purine-2,6-dione CAS Name: 1-[2-(4-methoxyphenoxy)ethyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(4-methoxyphenoxy)ethyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isobutyl-1-[2-(4-methoxyphenoxy)ethyl]xanthine Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H28N4O4/c1-18(2)15-27-17-26-23-22(27)24(30)28(13-14-33-21-11-9-20(32-3)10-12-21)25(31)29(23)16-19-7-5-4-6-8-19/h4-12,17-18H,13-16H2,1-3H3