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

Systemtic Name: 1-methyl-5,6-bis(oxidanylidene)-2-[3-(4-phenylbutyl)thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid Openeye Name: 1-methyl-5,6-dioxo-2-[3-(4-phenylbutyl)-2-thienyl]-4H-pyrimidine-4-carboxylic acid CAS Name: 1-methyl-5,6-dioxo-2-[3-(4-phenylbutyl)-2-thiophenyl]-4H-pyrimidine-4-carboxylic acid IUPAC Name: 1-methyl-5,6-dioxo-2-[3-(4-phenylbutyl)thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid Traditional Name: 5,6-diketo-1-methyl-2-[3-(4-phenylbutyl)-2-thienyl]-4H-pyrimidine-4-carboxylic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)CCCCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)CCCCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c1-22-18(21-15(20(25)26)16(23)19(22)24)17-14(11-12-27-17)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H,25,26)