5,6-bis(oxidanylidene)-1-(phenylmethyl)-2-thiophen-2-yl-4H-pyrimidine-4-carboxylic acid

Systemtic Name: 5,6-bis(oxidanylidene)-1-(phenylmethyl)-2-thiophen-2-yl-4H-pyrimidine-4-carboxylic acid Openeye Name: 1-benzyl-5,6-dioxo-2-(2-thienyl)-4H-pyrimidine-4-carboxylic acid CAS Name: 5,6-dioxo-1-(phenylmethyl)-2-thiophen-2-yl-4H-pyrimidine-4-carboxylic acid IUPAC Name: 1-benzyl-5,6-dioxo-2-thiophen-2-yl-4H-pyrimidine-4-carboxylic acid Traditional Name: 1-benzyl-5,6-diketo-2-(2-thienyl)-4H-pyrimidine-4-carboxylic acid Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC(C(=O)C2=O)C(=O)O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC(C(=O)C2=O)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C16H12N2O4S/c19-13-12(16(21)22)17-14(11-7-4-8-23-11)18(15(13)20)9-10-5-2-1-3-6-10/h1-8,12H,9H2,(H,21,22)