1-methyl-5,6-bis(oxidanylidene)-2-(3-phenethylthiophen-2-yl)-4H-pyrimidine-4-carboxylic acid

Systemtic Name: 1-methyl-5,6-bis(oxidanylidene)-2-(3-phenethylthiophen-2-yl)-4H-pyrimidine-4-carboxylic acid Openeye Name: 1-methyl-5,6-dioxo-2-(3-phenethyl-2-thienyl)-4H-pyrimidine-4-carboxylic acid CAS Name: 1-methyl-5,6-dioxo-2-(3-phenethyl-2-thiophenyl)-4H-pyrimidine-4-carboxylic acid IUPAC Name: 1-methyl-5,6-dioxo-2-(3-phenethylthiophen-2-yl)-4H-pyrimidine-4-carboxylic acid Traditional Name: 5,6-diketo-1-methyl-2-(3-phenethyl-2-thienyl)-4H-pyrimidine-4-carboxylic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O4S/c1-20-16(19-13(18(23)24)14(21)17(20)22)15-12(9-10-25-15)8-7-11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3,(H,23,24)