7-[(2-fluorophenyl)methyl]-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[(2-fluorophenyl)methyl]-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-8-methoxy-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C15H16FN4O3+ MolecularWeight: 319.310943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)OC)CC3=CC=CC=C3F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)OC)CC3=CC=CC=C3F

InChI

InChI=1S/C15H15FN4O3/c1-18-12-11(13(21)19(2)15(18)22)20(14(17-12)23-3)8-9-6-4-5-7-10(9)16/h4-7H,8H2,1-3H3/p+1