3,7-dimethyl-1-(5-oxidanylidenehexyl)-9H-purin-7-ium-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(5-oxidanylidenehexyl)-9H-purin-7-ium-2,6-dione Openeye Name: 3,7-dimethyl-1-(5-oxohexyl)-9H-purin-7-ium-2,6-dione CAS Name: 3,7-dimethyl-1-(5-oxohexyl)-9H-purin-7-ium-2,6-dione IUPAC Name: 3,7-dimethyl-1-(5-oxohexyl)-9H-purin-7-ium-2,6-dione Traditional Name: 1-(5-ketohexyl)-3,7-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C13H19N4O3+ MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C(=O)C2=C(NC=[N+]2C)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCN1C(=O)C2=C(NC=[N+]2C)N(C1=O)C

InChI

InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3/p+1