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

Systemtic Name: 4-[[4,6-bis[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(4-chloranyl-2-fluoranyl-phenyl)-2-oxidanyl-benzamide Openeye Name: 4-[[4,6-bis[(3S,5R)-3,5-diamino-1-piperidyl]-1,3,5-triazin-2-yl]amino]-N-(4-chloro-2-fluoro-phenyl)-2-hydroxy-benzamide CAS Name: 4-[[4,6-bis[(3S,5R)-3,5-diamino-1-piperidinyl]-1,3,5-triazin-2-yl]amino]-N-(4-chloro-2-fluorophenyl)-2-hydroxybenzamide IUPAC Name: 4-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(4-chloro-2-fluorophenyl)-2-hydroxybenzamide Traditional Name: 4-[[4,6-bis[(3S,5R)-3,5-diaminopiperidino]-s-triazin-2-yl]amino]-N-(4-chloro-2-fluoro-phenyl)-2-hydroxy-benzamide Formula: C26H33ClFN11O2 MolecularWeight: 586.064123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H](CN(C[C@H]1N)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C(=O)NC4=C(C=C(C=C4)Cl)F)O)N5C[C@@H](C[C@@H](C5)N)N)N

InChI

InChI=1S/C26H33ClFN11O2/c27-13-1-4-21(20(28)5-13)34-23(41)19-3-2-18(8-22(19)40)33-24-35-25(38-9-14(29)6-15(30)10-38)37-26(36-24)39-11-16(31)7-17(32)12-39/h1-5,8,14-17,40H,6-7,9-12,29-32H2,(H,34,41)(H,33,35,36,37)/t14-,15+,16-,17+