4-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

Systemtic Name: 4-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Openeye Name: 4-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide CAS Name: 4-[2-[(3-fluorophenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide IUPAC Name: 4-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide Traditional Name: 4-[2-[(3-fluorobenzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butyramide Formula: C25H25FN4O4S3 MolecularWeight: 560.683803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N)SC=C3

Isomeric SMILES

C1=CC(=CC(=C1)F)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N)SC=C3

InChI

InChI=1S/C25H25FN4O4S3/c26-19-4-1-3-18(15-19)16-36-25-29-21-11-14-35-23(21)24(32)30(25)13-2-5-22(31)28-12-10-17-6-8-20(9-7-17)37(27,33)34/h1,3-4,6-9,11,14-15H,2,5,10,12-13,16H2,(H,28,31)(H2,27,33,34)