1,3,7-trimethyl-8-[(4-oxidanidylmorpholin-4-ium-4-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(4-oxidanidylmorpholin-4-ium-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(4-oxidomorpholin-4-ium-4-yl)methyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(4-oxido-4-morpholin-4-iumyl)methyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(4-oxidomorpholin-4-ium-4-yl)methyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(4-oxidomorpholin-4-ium-4-yl)methyl]xanthine Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O4/c1-15-9(8-18(21)4-6-22-7-5-18)14-11-10(15)12(19)17(3)13(20)16(11)2/h4-8H2,1-3H3