3-[2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]benzamide

Systemtic Name: 3-[2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]benzamide Openeye Name: 3-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]benzamide CAS Name: 3-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-1-oxopropyl]amino]benzamide IUPAC Name: 3-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]benzamide Traditional Name: 3-[2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propanoylamino]benzamide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=CC=CC(=C3)C(=O)N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=CC=CC(=C3)C(=O)N)C

InChI

InChI=1S/C19H20N4O3S2/c1-9-10(2)28-19-15(9)18(26)22-14(23-19)8-27-11(3)17(25)21-13-6-4-5-12(7-13)16(20)24/h4-7,11H,8H2,1-3H3,(H2,20,24)(H,21,25)(H,22,23,26)