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

Systemtic Name: 2-[4-[[4-(4H-1,4-benzoxazin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenoxy]ethanol Openeye Name: 2-[4-[[4-(4H-1,4-benzoxazin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]phenoxy]ethanol CAS Name: 2-[4-[[4-(4H-1,4-benzoxazin-6-ylamino)-5-fluoro-2-pyrimidinyl]amino]phenoxy]ethanol IUPAC Name: 2-[4-[[4-(4H-1,4-benzoxazin-6-ylamino)-5-fluoropyrimidin-2-yl]amino]phenoxy]ethanol Traditional Name: 2-[4-[[4-(4H-1,4-benzoxazin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]phenoxy]ethanol Formula: C20H18FN5O3 MolecularWeight: 395.387023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC=CN4)F)OCCO

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC=CN4)F)OCCO

InChI

InChI=1S/C20H18FN5O3/c21-16-12-23-20(25-13-1-4-15(5-2-13)28-10-8-27)26-19(16)24-14-3-6-18-17(11-14)22-7-9-29-18/h1-7,9,11-12,22,27H,8,10H2,(H2,23,24,25,26)