3-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-2-(6-iodanyl-4-oxidanylidene-4aH-quinazolin-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-2-(6-iodanyl-4-oxidanylidene-4aH-quinazolin-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-2-(6-iodo-4-oxo-4aH-quinazolin-2-yl)-3-oxo-propanenitrile CAS Name: 3-[5-chloro-2-(methylthio)-4-pyrimidinyl]-2-(6-iodo-4-oxo-4aH-quinazolin-2-yl)-3-oxopropanenitrile IUPAC Name: 3-(5-chloro-2-methylsulfanylpyrimidin-4-yl)-2-(6-iodo-4-oxo-4aH-quinazolin-2-yl)-3-oxopropanenitrile Traditional Name: 3-[5-chloro-2-(methylthio)pyrimidin-4-yl]-2-(6-iodo-4-keto-4aH-quinazolin-2-yl)-3-keto-propionitrile Formula: C16H9ClIN5O2S MolecularWeight: 497.69743

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)C(C#N)C2=NC(=O)C3C=C(C=CC3=N2)I)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)C(C#N)C2=NC(=O)C3C=C(C=CC3=N2)I)Cl

InChI

InChI=1S/C16H9ClIN5O2S/c1-26-16-20-6-10(17)12(22-16)13(24)9(5-19)14-21-11-3-2-7(18)4-8(11)15(25)23-14/h2-4,6,8-9H,1H3