7-[3-(4-fluorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[3-(4-fluorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[3-(4-fluorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[3-[(4-fluorophenyl)thio]-2-methylpropyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-fluorophenyl)sulfanyl-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[3-[(4-fluorophenyl)thio]-2-methyl-propyl]-3-methyl-8-pyrrolidino-xanthine Formula: C20H24FN5O2S MolecularWeight: 417.500263

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)CSC4=CC=C(C=C4)F

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)CSC4=CC=C(C=C4)F

InChI

InChI=1S/C20H24FN5O2S/c1-13(12-29-15-7-5-14(21)6-8-15)11-26-16-17(24(2)20(28)23-18(16)27)22-19(26)25-9-3-4-10-25/h5-8,13H,3-4,9-12H2,1-2H3,(H,23,27,28)