2-[1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyrazol-1-ium-3-yl]ethanolate

Systemtic Name: 2-[1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyrazol-1-ium-3-yl]ethanolate Openeye Name: 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyrazol-1-ium-3-yl]ethanolate CAS Name: 2-[1-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-methyl-3-pyrazol-1-iumyl]ethanolate IUPAC Name: 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyrazol-1-ium-3-yl]ethanolate Traditional Name: 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyrazol-1-ium-3-yl]ethanolate Formula: C12H17N5O MolecularWeight: 247.29628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)C[N+]2=CC=C(N2C)CC[O-]

Isomeric SMILES

CC1=NC=C(C(=N1)N)C[N+]2=CC=C(N2C)CC[O-]

InChI

InChI=1S/C12H17N5O/c1-9-14-7-10(12(13)15-9)8-17-5-3-11(4-6-18)16(17)2/h3,5,7H,4,6,8H2,1-2H3,(H2,13,14,15)