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

Systemtic Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-1,3-dimethyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-1,3-dimethyl-8-(4-methylpiperazino)xanthine Formula: C20H25FN6O2S MolecularWeight: 432.514903

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(N2CCSC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(N2CCSC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H25FN6O2S/c1-23-8-10-26(11-9-23)19-22-17-16(18(28)25(3)20(29)24(17)2)27(19)12-13-30-15-6-4-14(21)5-7-15/h4-7H,8-13H2,1-3H3