3-[[4-[1H-benzimidazol-4-yl(3-methoxypropyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzamide

Systemtic Name: 3-[[4-[1H-benzimidazol-4-yl(3-methoxypropyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzamide Openeye Name: 3-[[4-[1H-benzimidazol-4-yl(3-methoxypropyl)amino]-5-fluoro-pyrimidin-2-yl]amino]benzamide CAS Name: 3-[[4-[1H-benzimidazol-4-yl(3-methoxypropyl)amino]-5-fluoro-2-pyrimidinyl]amino]benzamide IUPAC Name: 3-[[4-[1H-benzimidazol-4-yl(3-methoxypropyl)amino]-5-fluoropyrimidin-2-yl]amino]benzamide Traditional Name: 3-[[4-[1H-benzimidazol-4-yl(3-methoxypropyl)amino]-5-fluoro-pyrimidin-2-yl]amino]benzamide Formula: C22H22FN7O2 MolecularWeight: 435.454183

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(C1=CC=CC2=C1N=CN2)C3=NC(=NC=C3F)NC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

COCCCN(C1=CC=CC2=C1N=CN2)C3=NC(=NC=C3F)NC4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C22H22FN7O2/c1-32-10-4-9-30(18-8-3-7-17-19(18)27-13-26-17)21-16(23)12-25-22(29-21)28-15-6-2-5-14(11-15)20(24)31/h2-3,5-8,11-13H,4,9-10H2,1H3,(H2,24,31)(H,26,27)(H,25,28,29)