2-(tert-butylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-[(2-propan-2-ylsulfonylphenyl)amino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone

Systemtic Name: 2-(tert-butylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-[(2-propan-2-ylsulfonylphenyl)amino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone Openeye Name: 2-(tert-butylamino)-1-[4-[4-[[4-(2-isopropylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]-1-piperidyl]ethanone CAS Name: 2-(tert-butylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)-2-pyrazolo[1,5-a][1,3,5]triazinyl]amino]phenyl]-1-piperidinyl]ethanone IUPAC Name: 2-(tert-butylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone Traditional Name: 2-(tert-butylamino)-1-[4-[4-[[4-(2-isopropylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]piperidino]ethanone Formula: C33H44N8O4S MolecularWeight: 648.81866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2CCN(CC2)C(=O)CNC(C)(C)C)OC)NC3=NC4=CC=NN4C(=N3)NC5=CC=CC=C5S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2CCN(CC2)C(=O)CNC(C)(C)C)OC)NC3=NC4=CC=NN4C(=N3)NC5=CC=CC=C5S(=O)(=O)C(C)C

InChI

InChI=1S/C33H44N8O4S/c1-21(2)46(43,44)28-11-9-8-10-25(28)37-32-39-31(38-29-12-15-35-41(29)32)36-26-18-22(3)24(19-27(26)45-7)23-13-16-40(17-14-23)30(42)20-34-33(4,5)6/h8-12,15,18-19,21,23,34H,13-14,16-17,20H2,1-7H3,(H2,36,37,38,39)