8-chloranyl-1-(2-hydroxyethyl)-3,7-dimethyl-purine-2,6-dione; nitric acid

Systemtic Name: 8-chloranyl-1-(2-hydroxyethyl)-3,7-dimethyl-purine-2,6-dione; nitric acid Openeye Name: 8-chloro-1-(2-hydroxyethyl)-3,7-dimethyl-purine-2,6-dione; nitric acid CAS Name: 8-chloro-1-(2-hydroxyethyl)-3,7-dimethylpurine-2,6-dione; nitric acid IUPAC Name: 8-chloro-1-(2-hydroxyethyl)-3,7-dimethylpurine-2,6-dione; nitric acid Traditional Name: 8-chloro-1-(2-hydroxyethyl)-3,7-dimethyl-xanthine; nitric acid Formula: C9H12ClN5O6 MolecularWeight: 321.67448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CCO)C.[N+](=O)(O)[O-]

Isomeric SMILES

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CCO)C.[N+](=O)(O)[O-]

InChI

InChI=1S/C9H11ClN4O3.HNO3/c1-12-5-6(11-8(12)10)13(2)9(17)14(3-4-15)7(5)16;2-1(3)4/h15H,3-4H2,1-2H3;(H,2,3,4)