8-methoxy-1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-methoxy-1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-methoxy-1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione CAS Name: 8-methoxy-1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-methoxy-1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione Traditional Name: 8-methoxy-1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-quinone Formula: C11H17N4O3+ MolecularWeight: 253.27768

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(NC2=C1C(=O)N(C(=O)N2C)C)OC

Isomeric SMILES

CCC[N+]1=C(NC2=C1C(=O)N(C(=O)N2C)C)OC

InChI

InChI=1S/C11H16N4O3/c1-5-6-15-7-8(12-10(15)18-4)13(2)11(17)14(3)9(7)16/h5-6H2,1-4H3/p+1