4-[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[(2-chloro-4-fluorophenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-[(2-chloro-4-fluoro-benzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butyramide Formula: C25H23ClFN3O2S2 MolecularWeight: 516.050423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)N=C2SCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)N=C2SCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C25H23ClFN3O2S2/c26-20-15-19(27)9-8-18(20)16-34-25-29-21-11-14-33-23(21)24(32)30(25)13-4-7-22(31)28-12-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11,14-15H,4,7,10,12-13,16H2,(H,28,31)