3-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(5-chloro-2-methylsulfonyl-pyrimidin-4-yl)-2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3-oxo-propanenitrile CAS Name: 3-(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile IUPAC Name: 3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile Traditional Name: 3-(5-chloro-2-mesyl-pyrimidin-4-yl)-3-keto-2-(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)propionitrile Formula: C18H14ClN5O6S MolecularWeight: 463.85166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C(C#N)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C(C#N)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C18H14ClN5O6S/c1-29-12-4-8-11(5-13(12)30-2)22-16(24-17(8)26)9(6-20)15(25)14-10(19)7-21-18(23-14)31(3,27)28/h4-5,7,9H,1-3H3,(H,22,24,26)