2-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4H-3,1-benzothiazin-2-ylthio)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4H-3,1-benzothiazin-2-ylthio)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H15N3OS3 MolecularWeight: 421.5583

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N=C(S1)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1C2=CC=CC=C2N=C(S1)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C21H15N3OS3/c25-19-18-15(13-6-2-1-3-7-13)11-26-20(18)24-17(23-19)12-28-21-22-16-9-5-4-8-14(16)10-27-21/h1-9,11H,10,12H2,(H,23,24,25)