N-(4-dimethylaminophenyl)-2-[[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[6-(2-fluorophenyl)-3-(o-tolyl)-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[6-(2-fluorophenyl)-7-keto-3-(o-tolyl)-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]acetamide Formula: C28H24FN5O2S3 MolecularWeight: 577.715863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)N(C)C)C5=CC=CC=C5F)SC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)N(C)C)C5=CC=CC=C5F)SC2=S

InChI

InChI=1S/C28H24FN5O2S3/c1-17-8-4-6-10-21(17)33-25-24(39-28(33)37)26(36)34(22-11-7-5-9-20(22)29)27(31-25)38-16-23(35)30-18-12-14-19(15-13-18)32(2)3/h4-15H,16H2,1-3H3,(H,30,35)