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1,3,8,8-tetramethyl-7-oxidanylidene-9H-purin-7-ium-2,6-dione

1,3,8,8-tetramethyl-7-oxidanylidene-9H-purin-7-ium-2,6-dione

Systemtic Name:1,3,8,8-tetramethyl-7-oxidanylidene-9H-purin-7-ium-2,6-dione
Openeye Name:1,3,8,8-tetramethyl-7-oxo-9H-purin-7-ium-2,6-dione
CAS Name:1,3,8,8-tetramethyl-7-oxo-9H-purin-7-ium-2,6-dione
IUPAC Name:1,3,8,8-tetramethyl-7-oxo-9H-purin-7-ium-2,6-dione
Traditional Name:7-keto-1,3,8,8-tetramethyl-9H-purin-7-ium-2,6-quinone
Formula: C9H13N4O3+
MolecularWeight: 225.22452
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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC2=C([N+]1=O)C(=O)N(C(=O)N2C)C)C


Isomeric SMILES

CC1(NC2=C([N+]1=O)C(=O)N(C(=O)N2C)C)C


InChI

InChI=1S/C9H12N4O3/c1-9(2)10-6-5(13(9)16)7(14)12(4)8(15)11(6)3/h1-4H3/p+1


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