1,3-dimethyl-7-(2-methylpropyl)-8-(morpholin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylpropyl)-8-(morpholin-4-ylmethyl)purine-2,6-dione Openeye Name: 7-isobutyl-1,3-dimethyl-8-(morpholinomethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylpropyl)-8-(4-morpholinylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylpropyl)-8-(morpholin-4-ylmethyl)purine-2,6-dione Traditional Name: 7-isobutyl-1,3-dimethyl-8-(morpholinomethyl)xanthine Formula: C16H25N5O3 MolecularWeight: 335.4014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3

Isomeric SMILES

CC(C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3

InChI

InChI=1S/C16H25N5O3/c1-11(2)9-21-12(10-20-5-7-24-8-6-20)17-14-13(21)15(22)19(4)16(23)18(14)3/h11H,5-10H2,1-4H3