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

Systemtic Name: 6-[[5-fluoranyl-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one CAS Name: 6-[[5-fluoro-2-(3-hydroxyanilino)-4-pyrimidinyl]amino]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one Formula: C18H14FN5O3 MolecularWeight: 367.333863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC(=CC=C4)O

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC(=CC=C4)O

InChI

InChI=1S/C18H14FN5O3/c19-13-8-20-18(22-10-2-1-3-12(25)6-10)24-17(13)21-11-4-5-15-14(7-11)23-16(26)9-27-15/h1-8,25H,9H2,(H,23,26)(H2,20,21,22,24)