1-[3-[3,5-bis(azanyl)piperidin-1-yl]-4-[4-[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]phenyl]piperidine-3,5-diamine

Systemtic Name: 1-[3-[3,5-bis(azanyl)piperidin-1-yl]-4-[4-[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]phenyl]piperidine-3,5-diamine Openeye Name: 1-[4-[4-[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]piperazin-1-yl]-3-(3,5-diamino-1-piperidyl)phenyl]piperidine-3,5-diamine CAS Name: 1-[4-[4-[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]-1-piperazinyl]-3-(3,5-diamino-1-piperidinyl)phenyl]piperidine-3,5-diamine IUPAC Name: 1-[4-[4-[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]-3-(3,5-diaminopiperidin-1-yl)phenyl]piperidine-3,5-diamine Traditional Name: [5-amino-1-[4-[4-[2,4-bis(3,5-diaminopiperidino)phenyl]piperazino]-6-(3,5-diaminopiperidino)-s-triazin-2-yl]-3-piperidyl]amine Formula: C33H59N17 MolecularWeight: 693.93546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N)C5=NC(=NC(=N5)N6CC(CC(C6)N)N)N7CC(CC(C7)N)N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N)C5=NC(=NC(=N5)N6CC(CC(C6)N)N)N7CC(CC(C7)N)N

InChI

InChI=1S/C33H59N17/c34-20-7-21(35)13-47(12-20)28-1-2-29(30(11-28)48-14-22(36)8-23(37)15-48)45-3-5-46(6-4-45)31-42-32(49-16-24(38)9-25(39)17-49)44-33(43-31)50-18-26(40)10-27(41)19-50/h1-2,11,20-27H,3-10,12-19,34-41H2