N3-[2-[1,3-bis(fluoranyl)propan-2-yloxy]-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-6-chloranyl-N5-(2-methylsulfonylphenyl)-1,2,4-triazine-3,5-diamine

Systemtic Name: N3-[2-[1,3-bis(fluoranyl)propan-2-yloxy]-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-6-chloranyl-N5-(2-methylsulfonylphenyl)-1,2,4-triazine-3,5-diamine Openeye Name: 6-chloro-N3-[2-[2-fluoro-1-(fluoromethyl)ethoxy]-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]phenyl]-N5-(2-methylsulfonylphenyl)-1,2,4-triazine-3,5-diamine CAS Name: 6-chloro-N3-[2-(1,3-difluoropropan-2-yloxy)-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N5-(2-methylsulfonylphenyl)-1,2,4-triazine-3,5-diamine IUPAC Name: 6-chloro-3-N-[2-(1,3-difluoropropan-2-yloxy)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-5-N-(2-methylsulfonylphenyl)-1,2,4-triazine-3,5-diamine Traditional Name: [6-chloro-3-[2-[2-fluoro-1-(fluoromethyl)ethoxy]-4-[4-(4-methylpiperazino)piperidino]anilino]-1,2,4-triazin-5-yl]-(2-mesylphenyl)amine Formula: C29H37ClF2N8O3S MolecularWeight: 651.170686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC(=C(N=N4)Cl)NC5=CC=CC=C5S(=O)(=O)C)OC(CF)CF

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC(=C(N=N4)Cl)NC5=CC=CC=C5S(=O)(=O)C)OC(CF)CF

InChI

InChI=1S/C29H37ClF2N8O3S/c1-38-13-15-40(16-14-38)20-9-11-39(12-10-20)21-7-8-23(25(17-21)43-22(18-31)19-32)34-29-35-28(27(30)36-37-29)33-24-5-3-4-6-26(24)44(2,41)42/h3-8,17,20,22H,9-16,18-19H2,1-2H3,(H2,33,34,35,37)