5-[[5-fluoranyl-4-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[[5-fluoranyl-4-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[5-fluoro-4-[4-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C23H26FN7O3S MolecularWeight: 499.561043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C)F)S(=O)(=O)N

InChI

InChI=1S/C23H26FN7O3S/c1-15-3-6-18(13-20(15)35(25,33)34)28-23-26-14-19(24)21(29-23)27-17-7-4-16(5-8-17)22(32)31-11-9-30(2)10-12-31/h3-8,13-14H,9-12H2,1-2H3,(H2,25,33,34)(H2,26,27,28,29)