5-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(1-oxido-4-pyridin-1-iumyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrimidin-4-yl]amine Formula: C10H11N5O MolecularWeight: 217.22724

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1CC2=CN=C(N=C2N)N)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1CC2=CN=C(N=C2N)N)[O-]

InChI

InChI=1S/C10H11N5O/c11-9-8(6-13-10(12)14-9)5-7-1-3-15(16)4-2-7/h1-4,6H,5H2,(H4,11,12,13,14)