8-(4-aminophenyl)sulfanyl-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(4-aminophenyl)sulfanyl-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-aminophenyl)sulfanyl-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(4-aminophenyl)thio]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-aminophenyl)sulfanyl-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-aminophenyl)thio]-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C20H18FN5O2S MolecularWeight: 411.452623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=C(C=C3)N)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=C(C=C3)N)CC4=CC=CC=C4F

InChI

InChI=1S/C20H18FN5O2S/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-5-3-4-6-15(12)21)19(23-17)29-14-9-7-13(22)8-10-14/h3-10H,11,22H2,1-2H3