N-(4-iodophenyl)-2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanamide

Systemtic Name: N-(4-iodophenyl)-2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanamide Openeye Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-iodophenyl)butanamide CAS Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N-(4-iodophenyl)butanamide IUPAC Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-iodophenyl)butanamide Traditional Name: 2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(4-iodophenyl)butyramide Formula: C14H14IN3O3S MolecularWeight: 431.24873

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)I)SC2=NC(=CC(=O)N2)O

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)I)SC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C14H14IN3O3S/c1-2-10(22-14-17-11(19)7-12(20)18-14)13(21)16-9-5-3-8(15)4-6-9/h3-7,10H,2H2,1H3,(H,16,21)(H2,17,18,19,20)