1,2,3,7-tetramethylpurin-1-ium-6-one perchlorate

Systemtic Name: 1,2,3,7-tetramethylpurin-1-ium-6-one perchlorate Openeye Name: 1,2,3,7-tetramethylpurin-1-ium-6-one perchlorate CAS Name: 1,2,3,7-tetramethyl-6-purin-1-iumone perchlorate IUPAC Name: 1,2,3,7-tetramethylpurin-1-ium-6-one perchlorate Traditional Name: 1,2,3,7-tetramethylpurin-1-ium-6-one perchlorate Formula: C9H13ClN4O5 MolecularWeight: 292.67632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=C(N1C)N=CN2C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C(=O)C2=C(N1C)N=CN2C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C9H13N4O.ClHO4/c1-6-12(3)8-7(9(14)13(6)4)11(2)5-10-8;2-1(3,4)5/h5H,1-4H3;(H,2,3,4,5)/q+1;/p-1