5-[[4-[[3-(cyanomethyl)-1H-indol-7-yl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[[4-[[3-(cyanomethyl)-1H-indol-7-yl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[4-[[3-(cyanomethyl)-1H-indol-7-yl]amino]-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-[[3-(cyanomethyl)-1H-indol-7-yl]amino]-5-fluoro-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[4-[[3-(cyanomethyl)-1H-indol-7-yl]amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[4-[[3-(cyanomethyl)-1H-indol-7-yl]amino]-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C21H18FN7O2S MolecularWeight: 451.476723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC4=C3NC=C4CC#N)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC4=C3NC=C4CC#N)F)S(=O)(=O)N

InChI

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