6-[[5-fluoranyl-2-[(2-methyl-3H-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[[5-fluoranyl-2-[(2-methyl-3H-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[[5-fluoro-2-[(2-methyl-3H-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzothiazin-3-one CAS Name: 6-[[5-fluoro-2-[(2-methyl-3H-benzimidazol-5-yl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[[5-fluoro-2-[(2-methyl-3H-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzothiazin-3-one Traditional Name: 6-[[5-fluoro-2-[(2-methyl-3H-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzothiazin-3-one Formula: C22H20FN7OS MolecularWeight: 449.503903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC5=C(C=C4)SC(C(=O)N5)(C)C)F

Isomeric SMILES

CC1=NC2=C(N1)C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC5=C(C=C4)SC(C(=O)N5)(C)C)F

InChI

InChI=1S/C22H20FN7OS/c1-11-25-15-6-4-13(8-16(15)26-11)28-21-24-10-14(23)19(30-21)27-12-5-7-18-17(9-12)29-20(31)22(2,3)32-18/h4-10H,1-3H3,(H,25,26)(H,29,31)(H2,24,27,28,30)