6-ethyl-2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-3-ium-4-amine

Systemtic Name: 6-ethyl-2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-3-ium-4-amine Openeye Name: 6-ethyl-2-morpholino-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-3-ium-4-amine CAS Name: 6-ethyl-2-(4-morpholinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)-4-pyrimidin-3-iumamine IUPAC Name: 6-ethyl-2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-3-ium-4-amine Traditional Name: (6-ethyl-2-morpholino-pyrimidin-3-ium-4-yl)-(1H-1,2,4-triazol-5-ylmethyl)amine Formula: C13H20N7O+ MolecularWeight: 290.3442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=[NH+]C(=N1)N2CCOCC2)NCC3=NC=NN3

Isomeric SMILES

CCC1=CC(=[NH+]C(=N1)N2CCOCC2)NCC3=NC=NN3

InChI

InChI=1S/C13H19N7O/c1-2-10-7-11(14-8-12-15-9-16-19-12)18-13(17-10)20-3-5-21-6-4-20/h7,9H,2-6,8H2,1H3,(H,14,17,18)(H,15,16,19)/p+1