1,2,3-trimethyl-7H-purin-1-ium-6-one perchlorate

Systemtic Name: 1,2,3-trimethyl-7H-purin-1-ium-6-one perchlorate Openeye Name: 1,2,3-trimethyl-7H-purin-1-ium-6-one perchlorate CAS Name: 1,2,3-trimethyl-7H-purin-1-ium-6-one perchlorate IUPAC Name: 1,2,3-trimethyl-7H-purin-1-ium-6-one perchlorate Traditional Name: 1,2,3-trimethyl-7H-purin-1-ium-6-one perchlorate Formula: C8H11ClN4O5 MolecularWeight: 278.64974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=C(N1C)N=CN2)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C(=O)C2=C(N1C)N=CN2)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C8H10N4O.ClHO4/c1-5-11(2)7-6(9-4-10-7)8(13)12(5)3;2-1(3,4)5/h4H,1-3H3;(H,2,3,4,5)