4-[[5-fluoranyl-4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[5-fluoranyl-4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[5-fluoro-4-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[5-fluoro-4-[3-methyl-4-(4-methyl-1-piperazinyl)anilino]-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[5-fluoro-4-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[5-fluoro-4-[3-methyl-4-(4-methylpiperazino)anilino]pyrimidin-2-yl]amino]benzamide Formula: C23H26FN7O MolecularWeight: 435.497243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)C(=O)N)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)C(=O)N)N4CCN(CC4)C

InChI

InChI=1S/C23H26FN7O/c1-15-13-18(7-8-20(15)31-11-9-30(2)10-12-31)27-22-19(24)14-26-23(29-22)28-17-5-3-16(4-6-17)21(25)32/h3-8,13-14H,9-12H2,1-2H3,(H2,25,32)(H2,26,27,28,29)