3-[[2-(4H-1,4-benzoxazin-6-ylamino)-5-fluoranyl-pyrimidin-4-yl]amino]phenol

Systemtic Name: 3-[[2-(4H-1,4-benzoxazin-6-ylamino)-5-fluoranyl-pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[2-(4H-1,4-benzoxazin-6-ylamino)-5-fluoro-pyrimidin-4-yl]amino]phenol CAS Name: 3-[[2-(4H-1,4-benzoxazin-6-ylamino)-5-fluoro-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[2-(4H-1,4-benzoxazin-6-ylamino)-5-fluoropyrimidin-4-yl]amino]phenol Traditional Name: 3-[[2-(4H-1,4-benzoxazin-6-ylamino)-5-fluoro-pyrimidin-4-yl]amino]phenol Formula: C18H14FN5O2 MolecularWeight: 351.334463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OC=CN4

Isomeric SMILES

C1=CC(=CC(=C1)O)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OC=CN4

InChI

InChI=1S/C18H14FN5O2/c19-14-10-21-18(24-17(14)22-11-2-1-3-13(25)8-11)23-12-4-5-16-15(9-12)20-6-7-26-16/h1-10,20,25H,(H2,21,22,23,24)