4-(furan-2-yl)-N-(1-oxidanidylpyrimidin-1-ium-5-yl)-5-pyrimidin-4-yl-pyrimidin-2-amine

Systemtic Name: 4-(furan-2-yl)-N-(1-oxidanidylpyrimidin-1-ium-5-yl)-5-pyrimidin-4-yl-pyrimidin-2-amine Openeye Name: 4-(2-furyl)-N-(1-oxidopyrimidin-1-ium-5-yl)-5-pyrimidin-4-yl-pyrimidin-2-amine CAS Name: 4-(2-furanyl)-N-(1-oxido-5-pyrimidin-1-iumyl)-5-(4-pyrimidinyl)-2-pyrimidinamine IUPAC Name: 4-(furan-2-yl)-N-(1-oxidopyrimidin-1-ium-5-yl)-5-pyrimidin-4-ylpyrimidin-2-amine Traditional Name: [4-(2-furyl)-5-(4-pyrimidyl)pyrimidin-2-yl]-(1-oxidopyrimidin-1-ium-5-yl)amine Formula: C16H11N7O2 MolecularWeight: 333.30424

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NC(=NC=C2C3=NC=NC=C3)NC4=CN=C[N+](=C4)[O-]

Isomeric SMILES

C1=COC(=C1)C2=NC(=NC=C2C3=NC=NC=C3)NC4=CN=C[N+](=C4)[O-]

InChI

InChI=1S/C16H11N7O2/c24-23-8-11(6-18-10-23)21-16-19-7-12(13-3-4-17-9-20-13)15(22-16)14-2-1-5-25-14/h1-10H,(H,19,21,22)