2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[3-(methylthio)anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[3-(methylthio)anilino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H18N3O2S2- MolecularWeight: 348.46302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)SC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)SC)[O-]

InChI

InChI=1S/C16H19N3O2S2/c1-3-5-11-9-14(20)19-16(18-11)23-10-15(21)17-12-6-4-7-13(8-12)22-2/h4,6-9H,3,5,10H2,1-2H3,(H,17,21)(H,18,19,20)/p-1