N4-(1H-benzimidazol-4-yl)-5-fluoranyl-N4-(3-methoxypropyl)-N2-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(1H-benzimidazol-4-yl)-5-fluoranyl-N4-(3-methoxypropyl)-N2-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(1H-benzimidazol-4-yl)-5-fluoro-N4-(3-methoxypropyl)-N2-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine CAS Name: N4-(1H-benzimidazol-4-yl)-5-fluoro-N4-(3-methoxypropyl)-N2-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(1H-benzimidazol-4-yl)-5-fluoro-4-N-(3-methoxypropyl)-2-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine Traditional Name: 1H-benzimidazol-4-yl-[5-fluoro-2-(3-mesylanilino)pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C22H23FN6O3S MolecularWeight: 470.519823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN6O3S/c1-32-11-5-10-29(19-9-4-8-18-20(19)26-14-25-18)21-17(23)13-24-22(28-21)27-15-6-3-7-16(12-15)33(2,30)31/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,25,26)(H,24,27,28)