2-(4-quinazolin-4-ylpiperazin-1-yl)-5-(thiophen-2-ylcarbonylamino)pyridine-3-carboxylic acid

Systemtic Name: 2-(4-quinazolin-4-ylpiperazin-1-yl)-5-(thiophen-2-ylcarbonylamino)pyridine-3-carboxylic acid Openeye Name: 2-(4-quinazolin-4-ylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid CAS Name: 5-[[oxo(thiophen-2-yl)methyl]amino]-2-[4-(4-quinazolinyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-quinazolin-4-ylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid Traditional Name: 2-(4-quinazolin-4-ylpiperazino)-5-(2-thenoylamino)nicotinic acid Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=CC=CC=C32)C4=NC=C(C=C4C(=O)O)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=CC=CC=C32)C4=NC=C(C=C4C(=O)O)NC(=O)C5=CC=CS5

InChI

InChI=1S/C23H20N6O3S/c30-22(19-6-3-11-33-19)27-15-12-17(23(31)32)21(24-13-15)29-9-7-28(8-10-29)20-16-4-1-2-5-18(16)25-14-26-20/h1-6,11-14H,7-10H2,(H,27,30)(H,31,32)