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

Systemtic Name: 1-methyl-5,6-bis(oxidanylidene)-2-[3-[(E)-2-phenylethenyl]thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid Openeye Name: 1-methyl-5,6-dioxo-2-[3-[(E)-styryl]-2-thienyl]-4H-pyrimidine-4-carboxylic acid CAS Name: 1-methyl-5,6-dioxo-2-[3-[(E)-2-phenylethenyl]-2-thiophenyl]-4H-pyrimidine-4-carboxylic acid IUPAC Name: 1-methyl-5,6-dioxo-2-[3-[(E)-2-phenylethenyl]thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid Traditional Name: 5,6-diketo-1-methyl-2-[3-[(E)-styryl]-2-thienyl]-4H-pyrimidine-4-carboxylic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O4S/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/h2-10,13H,1H3,(H,23,24)/b8-7+