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

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butyl)-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 7-(3,3-dimethyl-2-oxo-butyl)-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 7-(2-keto-3,3-dimethyl-butyl)-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C18H28N5O4+ MolecularWeight: 378.44602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O4/c1-18(2,3)12(24)10-23-13(11-22-6-8-27-9-7-22)19-15-14(23)16(25)21(5)17(26)20(15)4/h6-11H2,1-5H3/p+1