potassium; 1,3-bis(chloranyl)-2H-purine; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: potassium; 1,3-bis(chloranyl)-2H-purine; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: potassium; 1,3-dichloro-2H-purine; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: potassium; 1,3-dichloro-2H-purine; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: potassium; 1,3-dichloro-2H-purine; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: potassium; 1,3-dichloro-2H-purine; 5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C13H15Cl2KN4O4 MolecularWeight: 401.2869

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C[CH2-])C.C1N(C=C2C(=NC=N2)N1Cl)Cl.[K+]

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C[CH2-])C.C1N(C=C2C(=NC=N2)N1Cl)Cl.[K+]

InChI

InChI=1S/C8H11O4.C5H4Cl2N4.K/c1-4-5-6(9)11-8(2,3)12-7(5)10;6-10-1-4-5(9-2-8-4)11(7)3-10;/h5H,1,4H2,2-3H3;1-2H,3H2;/q-1;;+1