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

Systemtic Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C15H22N5O4+ MolecularWeight: 336.36628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

Isomeric SMILES

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

InChI

InChI=1S/C15H21N5O4/c1-10(21)8-20-11(9-19-4-6-24-7-5-19)16-13-12(20)14(22)18(3)15(23)17(13)2/h4-9H2,1-3H3/p+1