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

Systemtic Name: 6-[[2-[(3,5-dimethoxyphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-4H-1,4-benzothiazin-3-one Openeye Name: 6-[[2-(3,5-dimethoxyanilino)-5-fluoro-pyrimidin-4-yl]amino]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[2-(3,5-dimethoxyanilino)-5-fluoro-4-pyrimidinyl]amino]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[[2-(3,5-dimethoxyanilino)-5-fluoropyrimidin-4-yl]amino]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[[2-(3,5-dimethoxyanilino)-5-fluoro-pyrimidin-4-yl]amino]-4H-1,4-benzothiazin-3-one Formula: C20H18FN5O3S MolecularWeight: 427.452023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN5O3S/c1-28-13-5-12(6-14(8-13)29-2)24-20-22-9-15(21)19(26-20)23-11-3-4-17-16(7-11)25-18(27)10-30-17/h3-9H,10H2,1-2H3,(H,25,27)(H2,22,23,24,26)