9-butyl-1,8-dimethyl-5,7-dihydropurin-9-ium-2,6-dione

Systemtic Name: 9-butyl-1,8-dimethyl-5,7-dihydropurin-9-ium-2,6-dione Openeye Name: 9-butyl-1,8-dimethyl-5,7-dihydropurin-9-ium-2,6-dione CAS Name: 9-butyl-1,8-dimethyl-5,7-dihydropurin-9-ium-2,6-dione IUPAC Name: 9-butyl-1,8-dimethyl-5,7-dihydropurin-9-ium-2,6-dione Traditional Name: 9-butyl-1,8-dimethyl-5,7-dihydropurin-9-ium-2,6-quinone Formula: C11H17N4O2+ MolecularWeight: 237.27828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(NC2C1=NC(=O)N(C2=O)C)C

Isomeric SMILES

CCCC[N+]1=C(NC2C1=NC(=O)N(C2=O)C)C

InChI

InChI=1S/C11H16N4O2/c1-4-5-6-15-7(2)12-8-9(15)13-11(17)14(3)10(8)16/h8H,4-6H2,1-3H3/p+1