6-[(E)-2-[2-[[4-(1,4-diazepan-1-ylsulfonyl)-3-fluoranyl-phenyl]amino]pyrimidin-5-yl]ethenyl]-1,3-benzothiazol-2-amine

Systemtic Name: 6-[(E)-2-[2-[[4-(1,4-diazepan-1-ylsulfonyl)-3-fluoranyl-phenyl]amino]pyrimidin-5-yl]ethenyl]-1,3-benzothiazol-2-amine Openeye Name: 6-[(E)-2-[2-[4-(1,4-diazepan-1-ylsulfonyl)-3-fluoro-anilino]pyrimidin-5-yl]vinyl]-1,3-benzothiazol-2-amine CAS Name: 6-[(E)-2-[2-[4-(1,4-diazepan-1-ylsulfonyl)-3-fluoroanilino]-5-pyrimidinyl]ethenyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-[(E)-2-[2-[4-(1,4-diazepan-1-ylsulfonyl)-3-fluoroanilino]pyrimidin-5-yl]ethenyl]-1,3-benzothiazol-2-amine Traditional Name: [5-[(E)-2-(2-amino-1,3-benzothiazol-6-yl)vinyl]pyrimidin-2-yl]-[4-(1,4-diazepan-1-ylsulfonyl)-3-fluoro-phenyl]amine Formula: C24H24FN7O2S2 MolecularWeight: 525.621463

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=C(C=C(C=C2)NC3=NC=C(C=N3)C=CC4=CC5=C(C=C4)N=C(S5)N)F

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=C(C=C(C=C2)NC3=NC=C(C=N3)/C=C/C4=CC5=C(C=C4)N=C(S5)N)F

InChI

InChI=1S/C24H24FN7O2S2/c25-19-13-18(5-7-22(19)36(33,34)32-10-1-8-27-9-11-32)30-24-28-14-17(15-29-24)3-2-16-4-6-20-21(12-16)35-23(26)31-20/h2-7,12-15,27H,1,8-11H2,(H2,26,31)(H,28,29,30)/b3-2+