N-(4,6-dimethylpyrimidin-2-yl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzenesulfonamide Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S)C

InChI

InChI=1S/C20H17N5O3S2/c1-12-11-13(2)22-19(21-12)24-30(27,28)15-9-7-14(8-10-15)25-18(26)16-5-3-4-6-17(16)23-20(25)29/h3-11H,1-2H3,(H,23,29)(H,21,22,24)