4-morpholin-4-yl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazin-2-amine

Systemtic Name: 4-morpholin-4-yl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazin-2-amine Openeye Name: 4-morpholino-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazin-2-amine CAS Name: 4-(4-morpholinyl)-6-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,5-triazin-2-amine IUPAC Name: 4-morpholin-4-yl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazin-2-amine Traditional Name: [4-morpholino-6-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-s-triazin-2-yl]amine Formula: C16H24N9O+ MolecularWeight: 358.42146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NC(=N2)N)N3CCOCC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NC(=N2)N)N3CCOCC3)C4=NC=CC=N4

InChI

InChI=1S/C16H23N9O/c17-14-20-13(21-16(22-14)25-8-10-26-11-9-25)12-23-4-6-24(7-5-23)15-18-2-1-3-19-15/h1-3H,4-12H2,(H2,17,20,21,22)/p+1