potassium 9-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]-7,11-dioxaspiro[5.5]undecane-8,10-dione

Systemtic Name: potassium 9-[2-(2-azanyl-6-chloranyl-purin-9-yl)ethyl]-7,11-dioxaspiro[5.5]undecane-8,10-dione Openeye Name: potassium 9-[2-(2-amino-6-chloro-purin-9-yl)ethyl]-7,11-dioxaspiro[5.5]undecane-8,10-dione CAS Name: potassium 9-[2-(2-amino-6-chloro-9-purinyl)ethyl]-7,11-dioxaspiro[5.5]undecane-8,10-dione IUPAC Name: potassium 9-[2-(2-amino-6-chloropurin-9-yl)ethyl]-7,11-dioxaspiro[5.5]undecane-8,10-dione Traditional Name: potassium 9-[2-(2-amino-6-chloro-purin-9-yl)ethyl]-7,11-dioxaspiro[5.5]undecane-8,10-quinone Formula: C16H18ClKN5O4+ MolecularWeight: 418.89652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=O)C(C(=O)O2)CCN3C=NC4=C3N=C(N=C4Cl)N.[K+]

Isomeric SMILES

C1CCC2(CC1)OC(=O)C(C(=O)O2)CCN3C=NC4=C3N=C(N=C4Cl)N.[K+]

InChI

InChI=1S/C16H18ClN5O4.K/c17-11-10-12(21-15(18)20-11)22(8-19-10)7-4-9-13(23)25-16(26-14(9)24)5-2-1-3-6-16;/h8-9H,1-7H2,(H2,18,20,21);/q;+1