methyl-[(4-methylsulfanylphenyl)methyl]-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C22H22N3OS2+ MolecularWeight: 408.55958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H21N3OS2/c1-25(12-15-8-10-17(27-2)11-9-15)13-19-23-21(26)20-18(14-28-22(20)24-19)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,24,26)/p+1