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

Systemtic Name: 6-[[5-fluoranyl-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[5-fluoro-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one CAS Name: 6-[[5-fluoro-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-pyrimidinyl]amino]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[5-fluoro-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[5-fluoro-2-[(3-keto-4H-1,4-benzoxazin-6-yl)amino]pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one Formula: C20H15FN6O4 MolecularWeight: 422.369303

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=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C20H15FN6O4/c21-12-7-22-20(24-11-2-4-16-14(6-11)26-18(29)9-31-16)27-19(12)23-10-1-3-15-13(5-10)25-17(28)8-30-15/h1-7H,8-9H2,(H,25,28)(H,26,29)(H2,22,23,24,27)