N-(4-iodophenyl)-2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanamide

Systemtic Name: N-(4-iodophenyl)-2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanamide Openeye Name: 2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-iodophenyl)butanamide CAS Name: 2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]-N-(4-iodophenyl)butanamide IUPAC Name: 2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-iodophenyl)butanamide Traditional Name: 2-[(4-hydroxy-6-keto-5-phenyl-1H-pyrimidin-2-yl)thio]-N-(4-iodophenyl)butyramide Formula: C20H18IN3O3S MolecularWeight: 507.34469

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)I)SC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)I)SC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H18IN3O3S/c1-2-15(17(25)22-14-10-8-13(21)9-11-14)28-20-23-18(26)16(19(27)24-20)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,22,25)(H2,23,24,26,27)