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

Systemtic Name: 6-[[2-(1,2-benzoxazol-5-ylamino)-5-fluoranyl-pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[2-(1,2-benzoxazol-5-ylamino)-5-fluoro-pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[2-(1,2-benzoxazol-5-ylamino)-5-fluoro-4-pyrimidinyl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[2-(1,2-benzoxazol-5-ylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[5-fluoro-2-(indoxazen-5-ylamino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one Formula: C21H17FN6O3 MolecularWeight: 420.396483

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)ON=C5)C

Isomeric SMILES

CC1(C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)ON=C5)C

InChI

InChI=1S/C21H17FN6O3/c1-21(2)19(29)27-15-8-13(4-6-17(15)30-21)25-18-14(22)10-23-20(28-18)26-12-3-5-16-11(7-12)9-24-31-16/h3-10H,1-2H3,(H,27,29)(H2,23,25,26,28)