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

Systemtic Name: 3-[[5-methyl-4-[(3-oxidanylidene-4-propyl-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-methyl-4-[(3-oxo-4-propyl-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-methyl-4-[(3-oxo-4-propyl-1,4-benzothiazin-6-yl)amino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-methyl-4-[(3-oxo-4-propyl-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[(3-keto-4-propyl-1,4-benzothiazin-6-yl)amino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C22H24N6O3S2 MolecularWeight: 484.59436

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CSC2=C1C=C(C=C2)NC3=NC(=NC=C3C)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CCCN1C(=O)CSC2=C1C=C(C=C2)NC3=NC(=NC=C3C)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C22H24N6O3S2/c1-3-9-28-18-11-16(7-8-19(18)32-13-20(28)29)25-21-14(2)12-24-22(27-21)26-15-5-4-6-17(10-15)33(23,30)31/h4-8,10-12H,3,9,13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)