ethyl 4-[azanyl-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[azanyl-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[amino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]piperazin-4-ium-1-carboxylate CAS Name: 4-[amino-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[amino-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]piperazin-4-ium-1-carboxylate Traditional Name: 4-[amino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H23N6O2+ MolecularWeight: 307.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[N+](=C(N)NC2=NC(=CC(=N2)C)C)CC1

Isomeric SMILES

CCOC(=O)N1CC[N+](=C(N)NC2=NC(=CC(=N2)C)C)CC1

InChI

InChI=1S/C14H22N6O2/c1-4-22-14(21)20-7-5-19(6-8-20)12(15)18-13-16-10(2)9-11(3)17-13/h9H,4-8H2,1-3H3,(H2,15,16,17,18)/p+1