3-[[4-(4H-1,4-benzoxazin-7-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenol

Systemtic Name: 3-[[4-(4H-1,4-benzoxazin-7-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenol Openeye Name: 3-[[4-(4H-1,4-benzoxazin-7-ylamino)-5-fluoro-pyrimidin-2-yl]amino]phenol CAS Name: 3-[[4-(4H-1,4-benzoxazin-7-ylamino)-5-fluoro-2-pyrimidinyl]amino]phenol IUPAC Name: 3-[[4-(4H-1,4-benzoxazin-7-ylamino)-5-fluoropyrimidin-2-yl]amino]phenol Traditional Name: 3-[[4-(4H-1,4-benzoxazin-7-ylamino)-5-fluoro-pyrimidin-2-yl]amino]phenol Formula: C18H14FN5O2 MolecularWeight: 351.334463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)NC=CO4)F

Isomeric SMILES

C1=CC(=CC(=C1)O)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)NC=CO4)F

InChI

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