7-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(2-fluorophenyl)sulfonylpiperazino]-3-keto-propyl]-1,3-dimethyl-xanthine Formula: C20H23FN6O5S MolecularWeight: 478.497223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN6O5S/c1-23-18-17(19(29)24(2)20(23)30)26(13-22-18)8-7-16(28)25-9-11-27(12-10-25)33(31,32)15-6-4-3-5-14(15)21/h3-6,13H,7-12H2,1-2H3