4-[[6-(pyridin-4-ylmethylcarbamoyl)-4H-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(pyridin-4-ylmethylcarbamoyl)-4H-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(4-pyridylmethylcarbamoyl)-4H-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[oxo-(pyridin-4-ylmethylamino)methyl]-4H-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(pyridin-4-ylmethylcarbamoyl)-4H-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(4-pyridylmethylcarbamoyl)-4H-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N=CN1CC3=CC=C(C=C3)C(=O)O)SC(=C2)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1C2=C(N=CN1CC3=CC=C(C=C3)C(=O)O)SC(=C2)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C21H18N4O3S/c26-19(23-10-14-5-7-22-8-6-14)18-9-17-12-25(13-24-20(17)29-18)11-15-1-3-16(4-2-15)21(27)28/h1-9,13H,10-12H2,(H,23,26)(H,27,28)