8-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-(2-fluorobenzoyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(2-fluorobenzoyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-(2-fluorobenzoyl)piperazino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H19FN6O3 MolecularWeight: 386.380263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C18H19FN6O3/c1-22-14-13(16(27)23(2)18(22)28)20-17(21-14)25-9-7-24(8-10-25)15(26)11-5-3-4-6-12(11)19/h3-6H,7-10H2,1-2H3,(H,20,21)