2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(3-iodanylphenyl)propanamide

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(3-iodanylphenyl)propanamide Openeye Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(3-iodophenyl)propanamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-(3-iodophenyl)propanamide IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(3-iodophenyl)propanamide Traditional Name: N-(3-iodophenyl)-2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propionamide Formula: C18H18IN3O2S2 MolecularWeight: 499.38889

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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)I)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18IN3O2S2/c1-9-10(2)26-18-15(9)17(24)21-14(22-18)8-25-11(3)16(23)20-13-6-4-5-12(19)7-13/h4-7,11H,8H2,1-3H3,(H,20,23)(H,21,22,24)