3-azanyl-5-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-5-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-5-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-5-phenyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-5-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-5-phenyl-2-[[3-(trifluoromethyl)benzyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C20H14F3N3OS2 MolecularWeight: 433.46987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=CC=C4)C(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=CC=C4)C(F)(F)F)N

InChI

InChI=1S/C20H14F3N3OS2/c21-20(22,23)14-8-4-5-12(9-14)10-29-19-25-17-16(18(27)26(19)24)15(11-28-17)13-6-2-1-3-7-13/h1-9,11H,10,24H2