3-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]propane-1,2-diol

Systemtic Name: 3-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]propane-1,2-diol Openeye Name: 3-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]propane-1,2-diol CAS Name: 3-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]propane-1,2-diol IUPAC Name: 3-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]propane-1,2-diol Traditional Name: 3-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]propane-1,2-diol Formula: C16H32N10O2 MolecularWeight: 396.49108

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1N)C2=NC(=NC(=N2)NCC(CO)O)N3CC(CC(C3)N)N)N

Isomeric SMILES

C1C(CN(CC1N)C2=NC(=NC(=N2)NCC(CO)O)N3CC(CC(C3)N)N)N

InChI

InChI=1S/C16H32N10O2/c17-9-1-10(18)5-25(4-9)15-22-14(21-3-13(28)8-27)23-16(24-15)26-6-11(19)2-12(20)7-26/h9-13,27-28H,1-8,17-20H2,(H,21,22,23,24)