6-azanyl-2-ethyl-4-pyridin-4-yl-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 6-azanyl-2-ethyl-4-pyridin-4-yl-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid Openeye Name: 6-amino-2-ethyl-4-(4-pyridyl)-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid CAS Name: 6-amino-2-ethyl-4-mercapto-4-pyridin-4-yl-3H-pyridine-3,5-dicarboxylic acid IUPAC Name: 6-amino-2-ethyl-4-pyridin-4-yl-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid Traditional Name: 6-amino-2-ethyl-4-mercapto-4-(4-pyridyl)-3H-pyridine-3,5-dicarboxylic acid Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(C1C(=O)O)(C2=CC=NC=C2)S)C(=O)O)N

Isomeric SMILES

CCC1=NC(=C(C(C1C(=O)O)(C2=CC=NC=C2)S)C(=O)O)N

InChI

InChI=1S/C14H15N3O4S/c1-2-8-9(12(18)19)14(22,7-3-5-16-6-4-7)10(13(20)21)11(15)17-8/h3-6,9,22H,2,15H2,1H3,(H,18,19)(H,20,21)