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

Systemtic Name: 1,2,3,7-tetramethylpurin-1-ium-6-one nitrate Openeye Name: 1,2,3,7-tetramethylpurin-1-ium-6-one nitrate CAS Name: 1,2,3,7-tetramethyl-6-purin-1-iumone nitrate IUPAC Name: 1,2,3,7-tetramethylpurin-1-ium-6-one nitrate Traditional Name: 1,2,3,7-tetramethylpurin-1-ium-6-one nitrate Formula: C9H13N5O4 MolecularWeight: 255.23062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N4O.NO3/c1-6-12(3)8-7(9(14)13(6)4)11(2)5-10-8;2-1(3)4/h5H,1-4H3;/q+1;-1