2-phenyl-5-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]pyrimidine-4-carboxylic acid

Systemtic Name: 2-phenyl-5-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]pyrimidine-4-carboxylic acid Openeye Name: 2-phenyl-5-[[5-(3-thienyl)benzofuran-2-yl]methoxycarbonylamino]pyrimidine-4-carboxylic acid CAS Name: 5-[[oxo-[[5-(3-thiophenyl)-2-benzofuranyl]methoxy]methyl]amino]-2-phenyl-4-pyrimidinecarboxylic acid IUPAC Name: 2-phenyl-5-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]pyrimidine-4-carboxylic acid Traditional Name: 2-phenyl-5-[[5-(3-thienyl)benzofuran-2-yl]methoxycarbonylamino]pyrimidine-4-carboxylic acid Formula: C25H17N3O5S MolecularWeight: 471.48458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C(=N2)C(=O)O)NC(=O)OCC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C(=N2)C(=O)O)NC(=O)OCC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C25H17N3O5S/c29-24(30)22-20(12-26-23(28-22)15-4-2-1-3-5-15)27-25(31)32-13-19-11-18-10-16(6-7-21(18)33-19)17-8-9-34-14-17/h1-12,14H,13H2,(H,27,31)(H,29,30)