6-[[2-[(3-chloranyl-4-methoxy-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[[2-[(3-chloranyl-4-methoxy-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-4H-1,4-benzothiazin-3-one Openeye Name: 6-[[2-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-4-yl]amino]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[2-(3-chloro-4-methoxyanilino)-5-fluoro-4-pyrimidinyl]amino]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[[2-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-4-yl]amino]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[[2-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-4-yl]amino]-4H-1,4-benzothiazin-3-one Formula: C19H15ClFN5O2S MolecularWeight: 431.871103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)SCC(=O)N4)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)SCC(=O)N4)F)Cl

InChI

InChI=1S/C19H15ClFN5O2S/c1-28-15-4-2-10(6-12(15)20)24-19-22-8-13(21)18(26-19)23-11-3-5-16-14(7-11)25-17(27)9-29-16/h2-8H,9H2,1H3,(H,25,27)(H2,22,23,24,26)