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

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)propanenitrile Openeye Name: 3-(4-morpholinosulfonylphenyl)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile IUPAC Name: 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile Traditional Name: 3-keto-2-(4-keto-1H-quinazolin-2-yl)-3-(4-morpholinosulfonylphenyl)propionitrile Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H18N4O5S/c22-13-17(20-23-18-4-2-1-3-16(18)21(27)24-20)19(26)14-5-7-15(8-6-14)31(28,29)25-9-11-30-12-10-25/h1-8,17H,9-12H2,(H,23,24,27)