potassium; 1-chloranyl-2H-purin-3-amine; 5-ethyl-2-phenyl-1,3-dioxane-4,6-dione

Systemtic Name: potassium; 1-chloranyl-2H-purin-3-amine; 5-ethyl-2-phenyl-1,3-dioxane-4,6-dione Openeye Name: potassium; 1-chloro-2H-purin-3-amine; 5-ethyl-2-phenyl-1,3-dioxane-4,6-dione CAS Name: potassium; 1-chloro-2H-purin-3-amine; 5-ethyl-2-phenyl-1,3-dioxane-4,6-dione IUPAC Name: potassium; 1-chloro-2H-purin-3-amine; 5-ethyl-2-phenyl-1,3-dioxane-4,6-dione Traditional Name: potassium; (1-chloro-2H-purin-3-yl)amine; 5-ethyl-2-phenyl-1,3-dioxane-4,6-quinone Formula: C17H17ClKN5O4 MolecularWeight: 429.89928

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]CC1C(=O)OC(OC1=O)C2=CC=CC=C2.C1N(C=C2C(=NC=N2)N1N)Cl.[K+]

Isomeric SMILES

[CH2-]CC1C(=O)OC(OC1=O)C2=CC=CC=C2.C1N(C=C2C(=NC=N2)N1N)Cl.[K+]

InChI

InChI=1S/C12H11O4.C5H6ClN5.K/c1-2-9-10(13)15-12(16-11(9)14)8-6-4-3-5-7-8;6-10-1-4-5(9-2-8-4)11(7)3-10;/h3-7,9,12H,1-2H2;1-2H,3,7H2;/q-1;;+1