potassium 5-[2-(2-azanyl-6-chloranyl-purin-7-yl)ethyl]-2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate

Systemtic Name: potassium 5-[2-(2-azanyl-6-chloranyl-purin-7-yl)ethyl]-2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate Openeye Name: potassium 5-[2-(2-amino-6-chloro-purin-7-yl)ethyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate CAS Name: potassium 5-[2-(2-amino-6-chloro-7-purinyl)ethyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate IUPAC Name: potassium 5-[2-(2-amino-6-chloropurin-7-yl)ethyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate Traditional Name: potassium 5-[2-(2-amino-6-chloro-purin-7-yl)ethyl]-6-keto-2,2-dimethyl-1,3-dioxin-4-olate Formula: C13H13ClKN5O4 MolecularWeight: 377.82472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)CCN2C=NC3=C2C(=NC(=N3)N)Cl)[O-])C.[K+]

Isomeric SMILES

CC1(OC(=C(C(=O)O1)CCN2C=NC3=C2C(=NC(=N3)N)Cl)[O-])C.[K+]

InChI

InChI=1S/C13H14ClN5O4.K/c1-13(2)22-10(20)6(11(21)23-13)3-4-19-5-16-9-7(19)8(14)17-12(15)18-9;/h5,20H,3-4H2,1-2H3,(H2,15,17,18);/q;+1/p-1