1-methyl-5,6-bis(oxidanylidene)-2-[3-(2-phenylmethoxyethyl)thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid

Systemtic Name: 1-methyl-5,6-bis(oxidanylidene)-2-[3-(2-phenylmethoxyethyl)thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid Openeye Name: 2-[3-(2-benzyloxyethyl)-2-thienyl]-1-methyl-5,6-dioxo-4H-pyrimidine-4-carboxylic acid CAS Name: 1-methyl-5,6-dioxo-2-[3-(2-phenylmethoxyethyl)-2-thiophenyl]-4H-pyrimidine-4-carboxylic acid IUPAC Name: 1-methyl-5,6-dioxo-2-[3-(2-phenylmethoxyethyl)thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid Traditional Name: 2-[3-(2-benzoxyethyl)-2-thienyl]-5,6-diketo-1-methyl-4H-pyrimidine-4-carboxylic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)CCOCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)CCOCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O5S/c1-21-17(20-14(19(24)25)15(22)18(21)23)16-13(8-10-27-16)7-9-26-11-12-5-3-2-4-6-12/h2-6,8,10,14H,7,9,11H2,1H3,(H,24,25)