2-[3-[1-[(2S)-1-[4-[4-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3-triazol-4-yl]propyl]guanidine

Systemtic Name: 2-[3-[1-[(2S)-1-[4-[4-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3-triazol-4-yl]propyl]guanidine Openeye Name: 2-[3-[1-[(1S)-1-methyl-2-[4-[4-morpholino-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxo-ethyl]triazol-4-yl]propyl]guanidine CAS Name: 2-[3-[1-[(2S)-1-[4-[4-(4-morpholinyl)-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]-1-piperazinyl]-1-oxopropan-2-yl]-4-triazolyl]propyl]guanidine IUPAC Name: 2-[3-[1-[(2S)-1-[4-[4-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]triazol-4-yl]propyl]guanidine Traditional Name: 2-[3-[1-[(1S)-2-keto-1-methyl-2-[4-[4-morpholino-6-[2-[2-(2-propargyloxyethoxy)ethoxy]ethylamino]-s-triazin-2-yl]piperazino]ethyl]triazol-4-yl]propyl]guanidine Formula: C29H47N13O5 MolecularWeight: 657.76758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCOCC3)N4C=C(N=N4)CCCN=C(N)N

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCOCC3)N4C=C(N=N4)CCCN=C(N)N

InChI

InChI=1S/C29H47N13O5/c1-3-14-44-18-20-47-21-19-45-15-7-33-27-34-28(36-29(35-27)41-12-16-46-17-13-41)40-10-8-39(9-11-40)25(43)23(2)42-22-24(37-38-42)5-4-6-32-26(30)31/h1,22-23H,4-21H2,2H3,(H4,30,31,32)(H,33,34,35,36)/t23-/m0/s1