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

Systemtic Name: sodium 1-[4-[[2,4-bis(sulfanylidene)-1H-pyrimidin-6-yl]carbonylamino]phenyl]-3-oxidanyl-piperidine-2-carboxylate Openeye Name: sodium 1-[4-[(2,4-dithioxo-1H-pyrimidine-6-carbonyl)amino]phenyl]-3-hydroxy-piperidine-2-carboxylate CAS Name: sodium 1-[4-[[[2,4-bis(sulfanylidene)-1H-pyrimidin-6-yl]-oxomethyl]amino]phenyl]-3-hydroxy-2-piperidinecarboxylate IUPAC Name: sodium 1-[4-[[2,4-bis(sulfanylidene)-1H-pyrimidine-6-carbonyl]amino]phenyl]-3-hydroxypiperidine-2-carboxylate Traditional Name: sodium 1-[4-[(2,4-dithioxo-1H-pyrimidine-6-carbonyl)amino]phenyl]-3-hydroxy-pipecolinate Formula: C17H17N4NaO4S2 MolecularWeight: 428.46105

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.[Na+]

Isomeric SMILES

C1CC(C(N(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=S)NC(=S)N3)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C17H18N4O4S2.Na/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);/q;+1/p-1