N4-(4-fluoranyl-2-methyl-1H-indol-5-yl)-N2-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-(4-fluoranyl-2-methyl-1H-indol-5-yl)-N2-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(4-fluoro-2-methyl-1H-indol-5-yl)-N2-[3-[(1-methylsulfonyl-4-piperidyl)methoxy]phenyl]pyrimidine-2,4-diamine CAS Name: N4-(4-fluoro-2-methyl-1H-indol-5-yl)-N2-[3-[(1-methylsulfonyl-4-piperidinyl)methoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(4-fluoro-2-methyl-1H-indol-5-yl)-2-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidine-2,4-diamine Traditional Name: (4-fluoro-2-methyl-1H-indol-5-yl)-[2-[3-[(1-mesyl-4-piperidyl)methoxy]anilino]pyrimidin-4-yl]amine Formula: C26H29FN6O3S MolecularWeight: 524.610263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2F)NC3=NC(=NC=C3)NC4=CC(=CC=C4)OCC5CCN(CC5)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2F)NC3=NC(=NC=C3)NC4=CC(=CC=C4)OCC5CCN(CC5)S(=O)(=O)C

InChI

InChI=1S/C26H29FN6O3S/c1-17-14-21-22(29-17)6-7-23(25(21)27)31-24-8-11-28-26(32-24)30-19-4-3-5-20(15-19)36-16-18-9-12-33(13-10-18)37(2,34)35/h3-8,11,14-15,18,29H,9-10,12-13,16H2,1-2H3,(H2,28,30,31,32)