6-[[2-[(3,5-dimethylphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-N-methyl-indole-1-carboxamide

Systemtic Name: 6-[[2-[(3,5-dimethylphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-N-methyl-indole-1-carboxamide Openeye Name: 6-[[2-(3,5-dimethylanilino)-5-fluoro-pyrimidin-4-yl]amino]-N-methyl-indole-1-carboxamide CAS Name: 6-[[2-(3,5-dimethylanilino)-5-fluoro-4-pyrimidinyl]amino]-N-methyl-1-indolecarboxamide IUPAC Name: 6-[[2-(3,5-dimethylanilino)-5-fluoropyrimidin-4-yl]amino]-N-methylindole-1-carboxamide Traditional Name: 6-[[2-(3,5-dimethylanilino)-5-fluoro-pyrimidin-4-yl]amino]-N-methyl-indole-1-carboxamide Formula: C22H21FN6O MolecularWeight: 404.440143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)C=CN4C(=O)NC)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)C=CN4C(=O)NC)F)C

InChI

InChI=1S/C22H21FN6O/c1-13-8-14(2)10-17(9-13)27-21-25-12-18(23)20(28-21)26-16-5-4-15-6-7-29(19(15)11-16)22(30)24-3/h4-12H,1-3H3,(H,24,30)(H2,25,26,27,28)