ethyl 2-[6-diazanyl-4-methyl-2-(phenylmethyl)pyrimidin-1-ium-1-yl]propanoate

Systemtic Name: ethyl 2-[6-diazanyl-4-methyl-2-(phenylmethyl)pyrimidin-1-ium-1-yl]propanoate Openeye Name: ethyl 2-(2-benzyl-6-hydrazino-4-methyl-pyrimidin-1-ium-1-yl)propanoate CAS Name: 2-[6-hydrazinyl-4-methyl-2-(phenylmethyl)-1-pyrimidin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-benzyl-6-hydrazinyl-4-methylpyrimidin-1-ium-1-yl)propanoate Traditional Name: 2-(2-benzyl-6-hydrazino-4-methyl-pyrimidin-1-ium-1-yl)propionic acid ethyl ester Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)[N+]1=C(C=C(N=C1CC2=CC=CC=C2)C)NN

Isomeric SMILES

CCOC(=O)C(C)[N+]1=C(C=C(N=C1CC2=CC=CC=C2)C)NN

InChI

InChI=1S/C17H22N4O2/c1-4-23-17(22)13(3)21-15(11-14-8-6-5-7-9-14)19-12(2)10-16(21)20-18/h5-10,13H,4,11,18H2,1-3H3/p+1