potassium 1-chloranyl-7,9-dihydro-3H-purine-2,6,8-trione thiocyanate

Systemtic Name: potassium 1-chloranyl-7,9-dihydro-3H-purine-2,6,8-trione thiocyanate Openeye Name: potassium 1-chloro-7,9-dihydro-3H-purine-2,6,8-trione thiocyanate CAS Name: potassium 1-chloro-7,9-dihydro-3H-purine-2,6,8-trione thiocyanate IUPAC Name: potassium 1-chloro-7,9-dihydro-3H-purine-2,6,8-trione thiocyanate Traditional Name: potassium 1-chlorouric acid thiocyanate Formula: C6H3ClKN5O3S MolecularWeight: 299.73602

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Descriptors Computed from Structure

Canonical SMILES:

C(#N)[S-].C12=C(NC(=O)N1)NC(=O)N(C2=O)Cl.[K+]

Isomeric SMILES

C(#N)[S-].C12=C(NC(=O)N1)NC(=O)N(C2=O)Cl.[K+]

InChI

InChI=1S/C5H3ClN4O3.CHNS.K/c6-10-3(11)1-2(9-5(10)13)8-4(12)7-1;2-1-3;/h(H,9,13)(H2,7,8,12);3H;/q;;+1/p-1