(1R,2R)-2-[[6-(2-pyridin-3-ylpyrimidin-4-yl)oxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Systemtic Name: (1R,2R)-2-[[6-(2-pyridin-3-ylpyrimidin-4-yl)oxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol Openeye Name: (1R,2R)-2-[[6-[2-(3-pyridyl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]amino]cyclohexanol CAS Name: (1R,2R)-2-[[6-[[2-(3-pyridinyl)-4-pyrimidinyl]oxy]-1,3-benzothiazol-2-yl]amino]-1-cyclohexanol IUPAC Name: (1R,2R)-2-[[6-(2-pyridin-3-ylpyrimidin-4-yl)oxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol Traditional Name: (1R,2R)-2-[[6-[2-(3-pyridyl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]amino]cyclohexanol Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC2=NC3=C(S2)C=C(C=C3)OC4=NC(=NC=C4)C5=CN=CC=C5)O

Isomeric SMILES

C1CC[C@H]([C@@H](C1)NC2=NC3=C(S2)C=C(C=C3)OC4=NC(=NC=C4)C5=CN=CC=C5)O

InChI

InChI=1S/C22H21N5O2S/c28-18-6-2-1-5-16(18)25-22-26-17-8-7-15(12-19(17)30-22)29-20-9-11-24-21(27-20)14-4-3-10-23-13-14/h3-4,7-13,16,18,28H,1-2,5-6H2,(H,25,26)/t16-,18-/m1/s1