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

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-yl)-6-methyl-N-[2-(1-oxidanidylpyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine Openeye Name: 2-(2,1,3-benzoxadiazol-5-yl)-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine CAS Name: 2-(2,1,3-benzoxadiazol-5-yl)-6-methyl-N-[2-(1-oxido-3-pyridin-1-iumyl)ethyl]-4-pyrimidinamine IUPAC Name: 2-(2,1,3-benzoxadiazol-5-yl)-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine Traditional Name: (2-benzofurazan-5-yl-6-methyl-pyrimidin-4-yl)-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]amine Formula: C18H16N6O2 MolecularWeight: 348.35864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC3=NON=C3C=C2)NCCC4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC3=NON=C3C=C2)NCCC4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C18H16N6O2/c1-12-9-17(19-7-6-13-3-2-8-24(25)11-13)21-18(20-12)14-4-5-15-16(10-14)23-26-22-15/h2-5,8-11H,6-7H2,1H3,(H,19,20,21)