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

Systemtic Name: 1-[2-(4-ethoxyphenoxy)ethyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-isobutyl-purine-2,6-dione CAS Name: 1-[2-(4-ethoxyphenoxy)ethyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-isobutyl-xanthine Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4/c1-4-33-21-10-12-22(13-11-21)34-15-14-29-25(31)23-24(27-18-28(23)16-19(2)3)30(26(29)32)17-20-8-6-5-7-9-20/h5-13,18-19H,4,14-17H2,1-3H3