6-[[2-[(3,4-dimethoxy-5-oxidanyl-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-4-methyl-1,4-benzothiazin-3-one

Systemtic Name: 6-[[2-[(3,4-dimethoxy-5-oxidanyl-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-4-methyl-1,4-benzothiazin-3-one Openeye Name: 6-[[5-fluoro-2-(3-hydroxy-4,5-dimethoxy-anilino)pyrimidin-4-yl]amino]-4-methyl-1,4-benzothiazin-3-one CAS Name: 6-[[5-fluoro-2-(3-hydroxy-4,5-dimethoxyanilino)-4-pyrimidinyl]amino]-4-methyl-1,4-benzothiazin-3-one IUPAC Name: 6-[[5-fluoro-2-(3-hydroxy-4,5-dimethoxyanilino)pyrimidin-4-yl]amino]-4-methyl-1,4-benzothiazin-3-one Traditional Name: 6-[[5-fluoro-2-(3-hydroxy-4,5-dimethoxy-anilino)pyrimidin-4-yl]amino]-4-methyl-1,4-benzothiazin-3-one Formula: C21H20FN5O4S MolecularWeight: 457.478003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CSC2=C1C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)O

Isomeric SMILES

CN1C(=O)CSC2=C1C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)O

InChI

InChI=1S/C21H20FN5O4S/c1-27-14-6-11(4-5-17(14)32-10-18(27)29)24-20-13(22)9-23-21(26-20)25-12-7-15(28)19(31-3)16(8-12)30-2/h4-9,28H,10H2,1-3H3,(H2,23,24,25,26)