N-(3,5-dimethylphenyl)-4-[2-(1-oxidanidylpyridin-1-ium-3-yl)imidazol-1-yl]pyrimidin-2-amine

Systemtic Name: N-(3,5-dimethylphenyl)-4-[2-(1-oxidanidylpyridin-1-ium-3-yl)imidazol-1-yl]pyrimidin-2-amine Openeye Name: N-(3,5-dimethylphenyl)-4-[2-(1-oxidopyridin-1-ium-3-yl)imidazol-1-yl]pyrimidin-2-amine CAS Name: N-(3,5-dimethylphenyl)-4-[2-(1-oxido-3-pyridin-1-iumyl)-1-imidazolyl]-2-pyrimidinamine IUPAC Name: N-(3,5-dimethylphenyl)-4-[2-(1-oxidopyridin-1-ium-3-yl)imidazol-1-yl]pyrimidin-2-amine Traditional Name: (3,5-dimethylphenyl)-[4-[2-(1-oxidopyridin-1-ium-3-yl)imidazol-1-yl]pyrimidin-2-yl]amine Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)N3C=CN=C3C4=C[N+](=CC=C4)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)N3C=CN=C3C4=C[N+](=CC=C4)[O-])C

InChI

InChI=1S/C20H18N6O/c1-14-10-15(2)12-17(11-14)23-20-22-6-5-18(24-20)26-9-7-21-19(26)16-4-3-8-25(27)13-16/h3-13H,1-2H3,(H,22,23,24)