4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-oxidanyl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide

Systemtic Name: 4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-oxidanyl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide Openeye Name: 4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide CAS Name: 4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-[4-(trifluoromethylthio)phenyl]benzamide IUPAC Name: 4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide Traditional Name: 4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-2-hydroxy-N-[4-(trifluoromethylthio)phenyl]benzamide Formula: C27H34F3N11O2S MolecularWeight: 633.69157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)SC(F)(F)F)O)N5CC(CC(C5)N)N)N

Isomeric SMILES

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)SC(F)(F)F)O)N5CC(CC(C5)N)N)N

InChI

InChI=1S/C27H34F3N11O2S/c28-27(29,30)44-20-4-1-18(2-5-20)35-23(43)21-6-3-19(9-22(21)42)36-24-37-25(40-10-14(31)7-15(32)11-40)39-26(38-24)41-12-16(33)8-17(34)13-41/h1-6,9,14-17,42H,7-8,10-13,31-34H2,(H,35,43)(H,36,37,38,39)