N-(1-oxidanidylpyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

Systemtic Name: N-(1-oxidanidylpyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine Openeye Name: N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine CAS Name: N-(1-oxido-3-pyridin-1-iumyl)-4-(2-phenyl-1-imidazolyl)-2-pyrimidinamine IUPAC Name: N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine Traditional Name: (1-oxidopyridin-1-ium-3-yl)-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]amine Formula: C18H14N6O MolecularWeight: 330.34336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=CN2C3=NC(=NC=C3)NC4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=CN2C3=NC(=NC=C3)NC4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C18H14N6O/c25-23-11-4-7-15(13-23)21-18-20-9-8-16(22-18)24-12-10-19-17(24)14-5-2-1-3-6-14/h1-13H,(H,20,21,22)