5-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]-1,2,3-thiadiazole-4-carboxylic acid

Systemtic Name: 5-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]-1,2,3-thiadiazole-4-carboxylic acid Openeye Name: 5-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid CAS Name: 5-[[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]amino]-4-thiadiazolecarboxylic acid IUPAC Name: 5-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid Traditional Name: 5-[[4-(2-pyrimidyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid Formula: C12H13N7O3S MolecularWeight: 335.34172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=C(N=NS3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=C(N=NS3)C(=O)O

InChI

InChI=1S/C12H13N7O3S/c20-10(21)8-9(23-17-16-8)15-12(22)19-6-4-18(5-7-19)11-13-2-1-3-14-11/h1-3H,4-7H2,(H,15,22)(H,20,21)