5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[(3,3-dimethyl-2-oxobutyl)thio]-3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 5-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-(2-fluorophenyl)-5-[(2-keto-3,3-dimethyl-butyl)thio]-3-o-phenetyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C25H24FN3O3S3 MolecularWeight: 529.669763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)C(C)(C)C)C4=CC=CC=C4F)SC2=S

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)C(C)(C)C)C4=CC=CC=C4F)SC2=S

InChI

InChI=1S/C25H24FN3O3S3/c1-5-32-18-13-9-8-12-17(18)28-21-20(35-24(28)33)22(31)29(16-11-7-6-10-15(16)26)23(27-21)34-14-19(30)25(2,3)4/h6-13H,5,14H2,1-4H3