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

Systemtic Name: 3-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)propanenitrile Openeye Name: 3-(5-chloro-2-methylsulfonyl-pyrimidin-4-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile CAS Name: 3-(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile IUPAC Name: 3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile Traditional Name: 3-(5-chloro-2-mesyl-pyrimidin-4-yl)-3-keto-2-(4-keto-1H-quinazolin-2-yl)propionitrile Formula: C16H10ClN5O4S MolecularWeight: 403.7997

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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=CC=CC=C3N2)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)C(C#N)C2=NC(=O)C3=CC=CC=C3N2)Cl

InChI

InChI=1S/C16H10ClN5O4S/c1-27(25,26)16-19-7-10(17)12(21-16)13(23)9(6-18)14-20-11-5-3-2-4-8(11)15(24)22-14/h2-5,7,9H,1H3,(H,20,22,24)