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

Systemtic Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-3-methyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-3-methyl-8-(4-methylpiperazino)xanthine Formula: C19H23FN6O2S MolecularWeight: 418.488323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN6O2S/c1-23-7-9-25(10-8-23)18-21-16-15(17(27)22-19(28)24(16)2)26(18)11-12-29-14-5-3-13(20)4-6-14/h3-6H,7-12H2,1-2H3,(H,22,27,28)