ethyl 2-[5-methyl-2,4-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1H-pyrimidin-3-ium-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-methyl-2,4-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1H-pyrimidin-3-ium-3-yl]ethanoate Openeye Name: ethyl 2-[3-(benzyloxymethyl)-5-methyl-2,4-dioxo-1H-pyrimidin-3-ium-3-yl]acetate CAS Name: 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1H-pyrimidin-3-ium-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1H-pyrimidin-3-ium-3-yl]acetate Traditional Name: 2-[3-(benzoxymethyl)-2,4-diketo-5-methyl-1H-pyrimidin-3-ium-3-yl]acetic acid ethyl ester Formula: C17H21N2O5+ MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(C(=O)C(=CNC1=O)C)COCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C[N+]1(C(=O)C(=CNC1=O)C)COCC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O5/c1-3-24-15(20)10-19(16(21)13(2)9-18-17(19)22)12-23-11-14-7-5-4-6-8-14/h4-9H,3,10-12H2,1-2H3/p+1