potassium; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione; purin-3-amine

Systemtic Name: potassium; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione; purin-3-amine Openeye Name: potassium; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione; purin-3-amine CAS Name: potassium; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione; 3-purinamine IUPAC Name: potassium; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione; purin-3-amine Traditional Name: potassium; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-quinone; purin-3-ylamine Formula: C13H16KN5O4 MolecularWeight: 345.39554

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C[CH2-])C.C1=C2C(=NC=N2)N(C=N1)N.[K+]

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C[CH2-])C.C1=C2C(=NC=N2)N(C=N1)N.[K+]

InChI

InChI=1S/C8H11O4.C5H5N5.K/c1-4-5-6(9)11-8(2,3)12-7(5)10;6-10-3-7-1-4-5(10)9-2-8-4;/h5H,1,4H2,2-3H3;1-3H,6H2;/q-1;;+1