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

Systemtic Name: 3-[[2-[(3,5-dimethoxyphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[2-(3,5-dimethoxyanilino)-5-fluoro-pyrimidin-4-yl]amino]phenol CAS Name: 3-[[2-(3,5-dimethoxyanilino)-5-fluoro-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[2-(3,5-dimethoxyanilino)-5-fluoropyrimidin-4-yl]amino]phenol Traditional Name: 3-[[2-(3,5-dimethoxyanilino)-5-fluoro-pyrimidin-4-yl]amino]phenol Formula: C18H17FN4O3 MolecularWeight: 356.350983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN4O3/c1-25-14-7-12(8-15(9-14)26-2)22-18-20-10-16(19)17(23-18)21-11-4-3-5-13(24)6-11/h3-10,24H,1-2H3,(H2,20,21,22,23)