1-[4-[[2,4-bis(sulfanylidene)-1H-pyrimidin-6-yl]carbonylamino]phenyl]-3-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[4-[[2,4-bis(sulfanylidene)-1H-pyrimidin-6-yl]carbonylamino]phenyl]-3-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(2,4-dithioxo-1H-pyrimidine-6-carbonyl)amino]phenyl]-3-hydroxy-piperidine-2-carboxylic acid CAS Name: 1-[4-[[[2,4-bis(sulfanylidene)-1H-pyrimidin-6-yl]-oxomethyl]amino]phenyl]-3-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[[2,4-bis(sulfanylidene)-1H-pyrimidine-6-carbonyl]amino]phenyl]-3-hydroxypiperidine-2-carboxylic acid Traditional Name: 1-[4-[(2,4-dithioxo-1H-pyrimidine-6-carbonyl)amino]phenyl]-3-hydroxy-pipecolinic acid Formula: C17H18N4O4S2 MolecularWeight: 406.47922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=S)NC(=S)N3)C(=O)O)O

Isomeric SMILES

C1CC(C(N(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=S)NC(=S)N3)C(=O)O)O

InChI

InChI=1S/C17H18N4O4S2/c22-12-2-1-7-21(14(12)16(24)25)10-5-3-9(4-6-10)18-15(23)11-8-13(26)20-17(27)19-11/h3-6,8,12,14,22H,1-2,7H2,(H,18,23)(H,24,25)(H2,19,20,26,27)