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

Systemtic Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C24H25FN6O2S MolecularWeight: 480.557703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=CC=C(C=C5)F

InChI

InChI=1S/C24H25FN6O2S/c1-28-21-20(22(32)27-24(28)33)31(15-16-34-19-9-7-17(25)8-10-19)23(26-21)30-13-11-29(12-14-30)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,27,32,33)