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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-3-oxo-propanenitrile CAS Name: 2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[5-chloro-2-(methylthio)-4-pyrimidinyl]-3-oxopropanenitrile IUPAC Name: 2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(5-chloro-2-methylsulfanylpyrimidin-4-yl)-3-oxopropanenitrile Traditional Name: 2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-[5-chloro-2-(methylthio)pyrimidin-4-yl]-3-keto-propionitrile Formula: C16H9BrClN5O2S MolecularWeight: 450.69696

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br)Cl

InChI

InChI=1S/C16H9BrClN5O2S/c1-26-16-20-6-10(18)12(22-16)13(24)9(5-19)14-21-11-3-2-7(17)4-8(11)15(25)23-14/h2-4,6,9H,1H3,(H,21,23,25)