2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile

Systemtic Name: 2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile Openeye Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile CAS Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanenitrile IUPAC Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile Traditional Name: 3-keto-2-(4-keto-6-methyl-1H-quinazolin-2-yl)-3-(4-pyrrolidinosulfonylphenyl)propionitrile Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=NC2=O)C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H20N4O4S/c1-14-4-9-19-17(12-14)22(28)25-21(24-19)18(13-23)20(27)15-5-7-16(8-6-15)31(29,30)26-10-2-3-11-26/h4-9,12,18H,2-3,10-11H2,1H3,(H,24,25,28)