[(5S)-6-[4-[4-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-oxidanylidene-5-[4-(2-oxidanylpropyl)-1,2,3-triazol-1-yl]hexyl]azanium chloride

Systemtic Name: [(5S)-6-[4-[4-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-oxidanylidene-5-[4-(2-oxidanylpropyl)-1,2,3-triazol-1-yl]hexyl]azanium chloride Openeye Name: [(5S)-5-[4-(2-hydroxypropyl)triazol-1-yl]-6-[4-[4-morpholino-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-oxo-hexyl]ammonium chloride CAS Name: [(5S)-5-[4-(2-hydroxypropyl)-1-triazolyl]-6-[4-[4-(4-morpholinyl)-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]-1-piperazinyl]-6-oxohexyl]ammonium chloride IUPAC Name: [(5S)-5-[4-(2-hydroxypropyl)triazol-1-yl]-6-[4-[4-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-oxohexyl]azanium chloride Traditional Name: [(5S)-5-[4-(2-hydroxypropyl)triazol-1-yl]-6-keto-6-[4-[4-morpholino-6-[2-[2-(2-propargyloxyethoxy)ethoxy]ethylamino]-s-triazin-2-yl]piperazino]hexyl]ammonium chloride Formula: C31H52ClN11O6 MolecularWeight: 710.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN(N=N1)C(CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCOCC4)O.[Cl-]

Isomeric SMILES

CC(CC1=CN(N=N1)[C@@H](CCCC[NH3+])C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCOCC4)O.[Cl-]

InChI

InChI=1S/C31H51N11O6.ClH/c1-3-15-45-19-21-48-22-20-46-16-8-33-29-34-30(36-31(35-29)41-13-17-47-18-14-41)40-11-9-39(10-12-40)28(44)27(6-4-5-7-32)42-24-26(37-38-42)23-25(2)43;/h1,24-25,27,43H,4-23,32H2,2H3,(H,33,34,35,36);1H/t25?,27-;/m0./s1