3-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-2-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-2-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(5-chloro-2-methylsulfonyl-pyrimidin-4-yl)-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)-3-oxo-propanenitrile CAS Name: 3-(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile IUPAC Name: 3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile Traditional Name: 3-(5-chloro-2-mesyl-pyrimidin-4-yl)-2-(6-iodo-4-keto-1H-quinazolin-2-yl)-3-keto-propionitrile Formula: C16H9ClIN5O4S MolecularWeight: 529.69623

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)I)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)I)Cl

InChI

InChI=1S/C16H9ClIN5O4S/c1-28(26,27)16-20-6-10(17)12(22-16)13(24)9(5-19)14-21-11-3-2-7(18)4-8(11)15(25)23-14/h2-4,6,9H,1H3,(H,21,23,25)