2-[[5-(4-fluorophenyl)-4-pyridin-4-yl-pyrimidin-2-yl]amino]ethanesulfonic acid

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-pyridin-4-yl-pyrimidin-2-yl]amino]ethanesulfonic acid Openeye Name: 2-[[5-(4-fluorophenyl)-4-(4-pyridyl)pyrimidin-2-yl]amino]ethanesulfonic acid CAS Name: 2-[[5-(4-fluorophenyl)-4-pyridin-4-yl-2-pyrimidinyl]amino]ethanesulfonic acid IUPAC Name: 2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethanesulfonic acid Traditional Name: 2-[[5-(4-fluorophenyl)-4-(4-pyridyl)pyrimidin-2-yl]amino]ethanesulfonic acid Formula: C17H15FN4O3S MolecularWeight: 374.389403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N=C2C3=CC=NC=C3)NCCS(=O)(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N=C2C3=CC=NC=C3)NCCS(=O)(=O)O)F

InChI

InChI=1S/C17H15FN4O3S/c18-14-3-1-12(2-4-14)15-11-21-17(20-9-10-26(23,24)25)22-16(15)13-5-7-19-8-6-13/h1-8,11H,9-10H2,(H,20,21,22)(H,23,24,25)