7-(2-methoxyethyl)-3-(2-methylpropyl)-8-thiophen-3-yl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-thiophen-3-yl-purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-8-(3-thienyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(3-thiophenyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-thiophen-3-ylpurine-2,6-dione Traditional Name: 3-isobutyl-7-(2-methoxyethyl)-8-(3-thienyl)xanthine Formula: C16H20N4O3S MolecularWeight: 348.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC=C3)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC=C3)CCOC

InChI

InChI=1S/C16H20N4O3S/c1-10(2)8-20-14-12(15(21)18-16(20)22)19(5-6-23-3)13(17-14)11-4-7-24-9-11/h4,7,9-10H,5-6,8H2,1-3H3,(H,18,21,22)