7-(2-methoxyethyl)-3-(2-methylpropyl)-1-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-1-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 1-(2-hydroxy-2-phenyl-ethyl)-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-(2-hydroxy-2-phenylethyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-(2-hydroxy-2-phenylethyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 1-(2-hydroxy-2-phenyl-ethyl)-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C20H26N4O4 MolecularWeight: 386.44484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC(C3=CC=CC=C3)O)N(C=N2)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC(C3=CC=CC=C3)O)N(C=N2)CCOC

InChI

InChI=1S/C20H26N4O4/c1-14(2)11-23-18-17(22(13-21-18)9-10-28-3)19(26)24(20(23)27)12-16(25)15-7-5-4-6-8-15/h4-8,13-14,16,25H,9-12H2,1-3H3