7-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C19H22FN6O3+ MolecularWeight: 401.414783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H21FN6O3/c1-22-17-16(18(28)23(2)19(22)29)26(12-21-17)11-15(27)25-9-7-24(8-10-25)14-5-3-13(20)4-6-14/h3-6,12H,7-11H2,1-2H3/p+1