1,3-dimethyl-8-(4-prop-2-enoxyphenyl)purin-3-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-prop-2-enoxyphenyl)purin-3-ium-2,6-dione Openeye Name: 8-(4-allyloxyphenyl)-1,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 1,3-dimethyl-8-(4-prop-2-enoxyphenyl)purin-3-ium-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-prop-2-enoxyphenyl)purin-3-ium-2,6-dione Traditional Name: 8-(4-allyloxyphenyl)-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C16H15N4O3+ MolecularWeight: 311.3153

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)C3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C16H15N4O3/c1-4-9-23-11-7-5-10(6-8-11)13-17-12-14(18-13)19(2)16(22)20(3)15(12)21/h4-8H,1,9H2,2-3H3/q+1