ethyl 4-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H28N7O3+ MolecularWeight: 402.47072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C19H27N7O3/c1-5-29-19(28)25-8-6-24(7-9-25)12-17(27)22-16-11-15(4)23-26(16)18-20-13(2)10-14(3)21-18/h10-11H,5-9,12H2,1-4H3,(H,22,27)/p+1