CHEBI:94314 - 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione

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ChEBI Name 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione ChEBI ID CHEBI:94314 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H21N5O4 Net Charge 0 Average Mass 311.337 Monoisotopic Mass 311.15935 InChI InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3 InChIKey DSFGXPJYDCSWTA-UHFFFAOYSA-N SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O ChEBI Ontology Outgoing 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione (CHEBI:94314) is a oxopurine (CHEBI:25810) Synonyms Sources xanthinol DrugCentral xanthinol niacinate DrugCentral xanthinol nicotinate DrugCentral xantinol nicotinate DrugCentral Manual Xrefs Databases 4368 DrugCentral LSM-4950 LINCS View more database links Registry Number Type Source 437-74-1 CAS Registry Number DrugCentral Last Modified 22 February 2017