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

Systemtic Name: 1-methyl-5,6-bis(oxidanylidene)-2-[3-(phenethylcarbamoylamino)thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid Openeye Name: 1-methyl-5,6-dioxo-2-[3-(phenethylcarbamoylamino)-2-thienyl]-4H-pyrimidine-4-carboxylic acid CAS Name: 1-methyl-5,6-dioxo-2-[3-[[oxo-(phenethylamino)methyl]amino]-2-thiophenyl]-4H-pyrimidine-4-carboxylic acid IUPAC Name: 1-methyl-5,6-dioxo-2-[3-(phenethylcarbamoylamino)thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid Traditional Name: 5,6-diketo-1-methyl-2-[3-(phenethylcarbamoylamino)-2-thienyl]-4H-pyrimidine-4-carboxylic acid Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O5S/c1-23-16(22-13(18(26)27)14(24)17(23)25)15-12(8-10-29-15)21-19(28)20-9-7-11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3,(H,26,27)(H2,20,21,28)