2-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-iodophenyl)ethanamide

Systemtic Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide Traditional Name: 2-[[5-cyano-4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]-N-(4-iodophenyl)acetamide Formula: C20H15IN4O3S MolecularWeight: 518.32757

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)I)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)I)C#N

InChI

InChI=1S/C20H15IN4O3S/c1-28-15-4-2-3-12(9-15)18-16(10-22)19(27)25-20(24-18)29-11-17(26)23-14-7-5-13(21)6-8-14/h2-9H,11H2,1H3,(H,23,26)(H,24,25,27)