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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H30N4O4/c1-19(2)13-14-28-18-27-24-23(28)25(31)29(15-16-34-22-11-9-21(33-3)10-12-22)26(32)30(24)17-20-7-5-4-6-8-20/h4-12,18-19H,13-17H2,1-3H3