5-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoro-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C21H18FN7O2S MolecularWeight: 451.476723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)NC=C4CC#N)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)NC=C4CC#N)F)S(=O)(=O)N

InChI

InChI=1S/C21H18FN7O2S/c1-12-2-3-15(9-19(12)32(24,30)31)28-21-26-11-17(22)20(29-21)27-14-4-5-18-16(8-14)13(6-7-23)10-25-18/h2-5,8-11,25H,6H2,1H3,(H2,24,30,31)(H2,26,27,28,29)