1-[1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]pyridin-1-ium-3-yl]ethanone

Systemtic Name: 1-[1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]pyridin-1-ium-3-yl]ethanone Openeye Name: 1-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]pyridin-1-ium-3-yl]ethanone CAS Name: 1-[1-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-3-pyridin-1-iumyl]ethanone IUPAC Name: 1-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridin-1-ium-3-yl]ethanone Traditional Name: 1-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]pyridin-1-ium-3-yl]ethanone Formula: C13H15N4O+ MolecularWeight: 243.2844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)C[N+]2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)C[N+]2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C13H15N4O/c1-9(18)11-4-3-5-17(7-11)8-12-6-15-10(2)16-13(12)14/h3-7H,8H2,1-2H3,(H2,14,15,16)/q+1