1,3-dimethyl-8-prop-2-enyl-purin-3-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-8-prop-2-enyl-purin-3-ium-2,6-dione Openeye Name: 8-allyl-1,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 1,3-dimethyl-8-prop-2-enylpurin-3-ium-2,6-dione IUPAC Name: 1,3-dimethyl-8-prop-2-enylpurin-3-ium-2,6-dione Traditional Name: 8-allyl-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C10H11N4O2+ MolecularWeight: 219.21994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)CC=C

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)CC=C

InChI

InChI=1S/C10H11N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4H,1,5H2,2-3H3/q+1