3-[[4-[(2,6-dimethoxypyridin-3-yl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]phenol

Systemtic Name: 3-[[4-[(2,6-dimethoxypyridin-3-yl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]phenol Openeye Name: 3-[[4-[(2,6-dimethoxy-3-pyridyl)amino]-5-fluoro-pyrimidin-2-yl]amino]phenol CAS Name: 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoro-2-pyrimidinyl]amino]phenol IUPAC Name: 3-[[4-[(2,6-dimethoxypyridin-3-yl)amino]-5-fluoropyrimidin-2-yl]amino]phenol Traditional Name: 3-[[4-[(2,6-dimethoxy-3-pyridyl)amino]-5-fluoro-pyrimidin-2-yl]amino]phenol Formula: C17H16FN5O3 MolecularWeight: 357.339043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)O)OC

Isomeric SMILES

COC1=NC(=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)O)OC

InChI

InChI=1S/C17H16FN5O3/c1-25-14-7-6-13(16(22-14)26-2)21-15-12(18)9-19-17(23-15)20-10-4-3-5-11(24)8-10/h3-9,24H,1-2H3,(H2,19,20,21,23)