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

Systemtic Name: 3-[[2-[(3-aminophenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[2-(3-aminoanilino)-5-fluoro-pyrimidin-4-yl]amino]phenol CAS Name: 3-[[2-(3-aminoanilino)-5-fluoro-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[2-(3-aminoanilino)-5-fluoropyrimidin-4-yl]amino]phenol Traditional Name: 3-[[2-(3-aminoanilino)-5-fluoro-pyrimidin-4-yl]amino]phenol Formula: C16H14FN5O MolecularWeight: 311.313663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN5O/c17-14-9-19-16(21-11-4-1-3-10(18)7-11)22-15(14)20-12-5-2-6-13(23)8-12/h1-9,23H,18H2,(H2,19,20,21,22)