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

Systemtic Name: 2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-(4-morpholinosulfonylphenyl)-3-oxo-propanenitrile CAS Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-[4-(4-morpholinylsulfonyl)phenyl]-3-oxopropanenitrile IUPAC Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanenitrile Traditional Name: 3-keto-2-(4-keto-6-methyl-1H-quinazolin-2-yl)-3-(4-morpholinosulfonylphenyl)propionitrile Formula: C22H20N4O5S MolecularWeight: 452.483

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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)N4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H20N4O5S/c1-14-2-7-19-17(12-14)22(28)25-21(24-19)18(13-23)20(27)15-3-5-16(6-4-15)32(29,30)26-8-10-31-11-9-26/h2-7,12,18H,8-11H2,1H3,(H,24,25,28)