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

Systemtic Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-1,3-dimethyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-1,3-dimethyl-8-(4-phenylpiperazino)xanthine Formula: C25H27FN6O2S MolecularWeight: 494.584283

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=CC=C(C=C5)F

InChI

InChI=1S/C25H27FN6O2S/c1-28-22-21(23(33)29(2)25(28)34)32(16-17-35-20-10-8-18(26)9-11-20)24(27-22)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3