2-methyl-5-[[5-methyl-4-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 2-methyl-5-[[5-methyl-4-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 2-methyl-5-[[5-methyl-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 2-methyl-5-[[5-methyl-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 2-methyl-5-[[5-methyl-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 5-[[4-[(3-keto-4H-1,4-benzothiazin-6-yl)amino]-5-methyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C20H20N6O3S2 MolecularWeight: 456.5412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)SCC(=O)N4)C)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)SCC(=O)N4)C)S(=O)(=O)N

InChI

InChI=1S/C20H20N6O3S2/c1-11-3-4-14(8-17(11)31(21,28)29)24-20-22-9-12(2)19(26-20)23-13-5-6-16-15(7-13)25-18(27)10-30-16/h3-9H,10H2,1-2H3,(H,25,27)(H2,21,28,29)(H2,22,23,24,26)