1,7,9-trimethylpurin-9-ium-6-one

Systemtic Name: 1,7,9-trimethylpurin-9-ium-6-one Openeye Name: 1,7,9-trimethylpurin-9-ium-6-one CAS Name: 1,7,9-trimethyl-6-purin-9-iumone IUPAC Name: 1,7,9-trimethylpurin-9-ium-6-one Traditional Name: 1,7,9-trimethylpurin-9-ium-6-one Formula: C16H22N8O2+2 MolecularWeight: 358.39828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C(C1=O)N(C=[N+]2C)C.CN1C=NC2=C(C1=O)N(C=[N+]2C)C

Isomeric SMILES

CN1C=NC2=C(C1=O)N(C=[N+]2C)C.CN1C=NC2=C(C1=O)N(C=[N+]2C)C

InChI

InChI=1S/2C8H11N4O/c2*1-10-4-9-7-6(8(10)13)11(2)5-12(7)3/h2*4-5H,1-3H3/q2*+1