2-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-piperidinosulfonylanilino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H25N4O4S2- MolecularWeight: 449.5669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[O-]

InChI

InChI=1S/C20H26N4O4S2/c1-2-7-15-13-18(25)23-20(22-15)29-14-19(26)21-16-8-6-9-17(12-16)30(27,28)24-10-4-3-5-11-24/h6,8-9,12-13H,2-5,7,10-11,14H2,1H3,(H,21,26)(H,22,23,25)/p-1