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

Systemtic Name: 3-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(5-chloro-2-methylsulfonyl-pyrimidin-4-yl)-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxo-propanenitrile CAS Name: 3-(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile IUPAC Name: 3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile Traditional Name: 3-(5-chloro-2-mesyl-pyrimidin-4-yl)-3-keto-2-(4-keto-6-methyl-1H-quinazolin-2-yl)propionitrile Formula: C17H12ClN5O4S MolecularWeight: 417.82628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=NC2=O)C(C#N)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)C(C#N)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C

InChI

InChI=1S/C17H12ClN5O4S/c1-8-3-4-12-9(5-8)16(25)23-15(21-12)10(6-19)14(24)13-11(18)7-20-17(22-13)28(2,26)27/h3-5,7,10H,1-2H3,(H,21,23,25)