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

Systemtic Name: 1-methyl-5,6-bis(oxidanylidene)-2-[3-[(2-phenylcyclopropyl)carbamoylamino]thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid Openeye Name: 1-methyl-5,6-dioxo-2-[3-[(2-phenylcyclopropyl)carbamoylamino]-2-thienyl]-4H-pyrimidine-4-carboxylic acid CAS Name: 1-methyl-5,6-dioxo-2-[3-[[oxo-[(2-phenylcyclopropyl)amino]methyl]amino]-2-thiophenyl]-4H-pyrimidine-4-carboxylic acid IUPAC Name: 1-methyl-5,6-dioxo-2-[3-[(2-phenylcyclopropyl)carbamoylamino]thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid Traditional Name: 5,6-diketo-1-methyl-2-[3-[(2-phenylcyclopropyl)carbamoylamino]-2-thienyl]-4H-pyrimidine-4-carboxylic acid Formula: C20H18N4O5S MolecularWeight: 426.44572

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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)NC3CC3C4=CC=CC=C4

Isomeric SMILES

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)NC(=O)NC3CC3C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O5S/c1-24-17(23-14(19(27)28)15(25)18(24)26)16-12(7-8-30-16)21-20(29)22-13-9-11(13)10-5-3-2-4-6-10/h2-8,11,13-14H,9H2,1H3,(H,27,28)(H2,21,22,29)