3-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]-N-methyl-benzamide

Systemtic Name: 3-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]-N-methyl-benzamide Openeye Name: 3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-methyl-benzamide CAS Name: 3-[[5-fluoro-4-(3-hydroxyanilino)-2-pyrimidinyl]amino]-N-methylbenzamide IUPAC Name: 3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-methylbenzamide Traditional Name: 3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-methyl-benzamide Formula: C18H16FN5O2 MolecularWeight: 353.350343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN5O2/c1-20-17(26)11-4-2-5-12(8-11)23-18-21-10-15(19)16(24-18)22-13-6-3-7-14(25)9-13/h2-10,25H,1H3,(H,20,26)(H2,21,22,23,24)