(2S)-6-azanyl-1-[4-[4-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-[4-(2-oxidanylpropyl)-1,2,3-triazol-1-yl]hexan-1-one

Systemtic Name: (2S)-6-azanyl-1-[4-[4-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-[4-(2-oxidanylpropyl)-1,2,3-triazol-1-yl]hexan-1-one Openeye Name: (2S)-6-amino-2-[4-(2-hydroxypropyl)triazol-1-yl]-1-[4-[4-morpholino-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]hexan-1-one CAS Name: (2S)-6-amino-2-[4-(2-hydroxypropyl)-1-triazolyl]-1-[4-[4-(4-morpholinyl)-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]-1-piperazinyl]-1-hexanone IUPAC Name: (2S)-6-amino-2-[4-(2-hydroxypropyl)triazol-1-yl]-1-[4-[4-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]hexan-1-one Traditional Name: (2S)-6-amino-2-[4-(2-hydroxypropyl)triazol-1-yl]-1-[4-[4-morpholino-6-[2-[2-(2-propargyloxyethoxy)ethoxy]ethylamino]-s-triazin-2-yl]piperazino]hexan-1-one Formula: C31H51N11O6 MolecularWeight: 673.80674

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN(N=N1)C(CCCCN)C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCOCC4)O

Isomeric SMILES

CC(CC1=CN(N=N1)[C@@H](CCCCN)C(=O)N2CCN(CC2)C3=NC(=NC(=N3)NCCOCCOCCOCC#C)N4CCOCC4)O

InChI

InChI=1S/C31H51N11O6/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)/t25?,27-/m0/s1