3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-(pyridin-3-ylmethylsulfanyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-(pyridin-3-ylmethylsulfanyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-(3-pyridylmethylsulfanyl)-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-(3-pyridinylmethylthio)-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-(pyridin-3-ylmethylsulfanyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-(2-fluorophenyl)-3-o-phenetyl-5-(3-pyridylmethylthio)-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C25H19FN4O2S3 MolecularWeight: 522.637363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC4=CN=CC=C4)C5=CC=CC=C5F)SC2=S

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC4=CN=CC=C4)C5=CC=CC=C5F)SC2=S

InChI

InChI=1S/C25H19FN4O2S3/c1-2-32-20-12-6-5-11-19(20)29-22-21(35-25(29)33)23(31)30(18-10-4-3-9-17(18)26)24(28-22)34-15-16-8-7-13-27-14-16/h3-14H,2,15H2,1H3