7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(5-nitrofuran-2-yl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(5-nitrofuran-2-yl)purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-8-(5-nitro-2-furyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(5-nitro-2-furanyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(5-nitrofuran-2-yl)purine-2,6-dione Traditional Name: 3-isobutyl-7-(2-methoxyethyl)-8-(5-nitro-2-furyl)xanthine Formula: C16H19N5O6 MolecularWeight: 377.35196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)[N+](=O)[O-])CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)[N+](=O)[O-])CCOC

InChI

InChI=1S/C16H19N5O6/c1-9(2)8-20-14-12(15(22)18-16(20)23)19(6-7-26-3)13(17-14)10-4-5-11(27-10)21(24)25/h4-5,9H,6-8H2,1-3H3,(H,18,22,23)