2-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-N-[2-(1-oxidanidylpyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-N-[2-(1-oxidanidylpyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine Openeye Name: 2-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine CAS Name: 2-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-N-[2-(1-oxido-3-pyridin-1-iumyl)ethyl]-4-pyrimidinamine IUPAC Name: 2-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine Traditional Name: (2-benzofurazan-5-yl-6-ethyl-pyrimidin-4-yl)-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]amine Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)C2=CC3=NON=C3C=C2)NCCC4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)C2=CC3=NON=C3C=C2)NCCC4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C19H18N6O2/c1-2-15-11-18(20-8-7-13-4-3-9-25(26)12-13)22-19(21-15)14-5-6-16-17(10-14)24-27-23-16/h3-6,9-12H,2,7-8H2,1H3,(H,20,21,22)