N-(2-diethylaminoethyl)-4-[[5-fluoranyl-4-[[2-(2-hydroxyethyl)-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]amino]pyrimidin-2-yl]amino]benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-[[5-fluoranyl-4-[[2-(2-hydroxyethyl)-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]amino]pyrimidin-2-yl]amino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[[5-fluoro-4-[[2-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]amino]pyrimidin-2-yl]amino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[5-fluoro-4-[[2-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-pyrimidinyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[[5-fluoro-4-[[2-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]amino]pyrimidin-2-yl]amino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[[5-fluoro-4-[[2-(2-hydroxyethyl)-3-keto-4H-1,4-benzoxazin-6-yl]amino]pyrimidin-2-yl]amino]benzamide Formula: C27H32FN7O4 MolecularWeight: 537.585883

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(C(=O)N4)CCO)F

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(C(=O)N4)CCO)F

InChI

InChI=1S/C27H32FN7O4/c1-3-35(4-2)13-12-29-25(37)17-5-7-18(8-6-17)32-27-30-16-20(28)24(34-27)31-19-9-10-22-21(15-19)33-26(38)23(39-22)11-14-36/h5-10,15-16,23,36H,3-4,11-14H2,1-2H3,(H,29,37)(H,33,38)(H2,30,31,32,34)