N-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]-2-oxidanylidene-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

Systemtic Name: N-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]-2-oxidanylidene-6-(trifluoromethyl)-1H-pyridine-3-carboxamide Openeye Name: N-[4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide CAS Name: N-[4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide IUPAC Name: N-[4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide Traditional Name: N-[4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-2-hydroxy-phenyl]-2-keto-6-(trifluoromethyl)-1H-pyridine-3-carboxamide Formula: C26H33F3N12O3 MolecularWeight: 618.61403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33F3N12O3/c27-26(28,29)20-4-2-17(22(44)36-20)21(43)35-18-3-1-16(7-19(18)42)34-23-37-24(40-8-12(30)5-13(31)9-40)39-25(38-23)41-10-14(32)6-15(33)11-41/h1-4,7,12-15,42H,5-6,8-11,30-33H2,(H,35,43)(H,36,44)(H,34,37,38,39)