2-[3-[1-[2-[4-[4-[4-[2-[4-[3-[bis(azanyl)methylideneamino]propyl]-1,2,3-triazol-1-yl]ethanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-triazol-4-yl]propyl]guanidine

Systemtic Name: 2-[3-[1-[2-[4-[4-[4-[2-[4-[3-[bis(azanyl)methylideneamino]propyl]-1,2,3-triazol-1-yl]ethanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-triazol-4-yl]propyl]guanidine Openeye Name: 2-[3-[1-[2-[4-[4-[4-[2-[4-(3-guanidinopropyl)triazol-1-yl]acetyl]piperazin-1-yl]-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-[2-[4-[4-[4-[2-[4-[3-(diaminomethylideneamino)propyl]-1-triazolyl]-1-oxoethyl]-1-piperazinyl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]-1-piperazinyl]-2-oxoethyl]-4-triazolyl]propyl]guanidine IUPAC Name: 2-[3-[1-[2-[4-[4-[4-[2-[4-[3-(diaminomethylideneamino)propyl]triazol-1-yl]acetyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]triazol-4-yl]propyl]guanidine Traditional Name: 2-[3-[1-[2-[4-[4-[4-[2-[4-(3-guanidinopropyl)triazol-1-yl]acetyl]piperazino]-6-[2-[2-(2-propargyloxyethoxy)ethoxy]ethylamino]-s-triazin-2-yl]piperazino]-2-keto-ethyl]triazol-4-yl]propyl]guanidine Formula: C36H58N20O5 MolecularWeight: 850.97672

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)CN3C=C(N=N3)CCCN=C(N)N)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCN=C(N)N

Isomeric SMILES

C#CCOCCOCCOCCNC1=NC(=NC(=N1)N2CCN(CC2)C(=O)CN3C=C(N=N3)CCCN=C(N)N)N4CCN(CC4)C(=O)CN5C=C(N=N5)CCCN=C(N)N

InChI

InChI=1S/C36H58N20O5/c1-2-18-59-20-22-61-23-21-60-19-9-43-34-44-35(53-14-10-51(11-15-53)30(57)26-55-24-28(47-49-55)5-3-7-41-32(37)38)46-36(45-34)54-16-12-52(13-17-54)31(58)27-56-25-29(48-50-56)6-4-8-42-33(39)40/h1,24-25H,3-23,26-27H2,(H4,37,38,41)(H4,39,40,42)(H,43,44,45,46)