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

Systemtic Name: 4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-chloranyl-2-oxidanyl-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-N-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-N-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-N-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C27H33ClF3N11O2 MolecularWeight: 636.07163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33ClF3N11O2/c28-42(20-3-1-2-14(6-20)27(29,30)31)23(44)21-5-4-19(9-22(21)43)36-24-37-25(40-10-15(32)7-16(33)11-40)39-26(38-24)41-12-17(34)8-18(35)13-41/h1-6,9,15-18,43H,7-8,10-13,32-35H2,(H,36,37,38,39)