5-acetamido-2-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-acetamido-2-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-acetamido-2-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-acetamido-2-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]thio]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-acetamido-2-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-acetamido-2-[[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]thio]-6-keto-1H-pyrimidin-4-olate Formula: C17H16N5O4S2- MolecularWeight: 418.47004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)[O-]

Isomeric SMILES

CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)[O-]

InChI

InChI=1S/C17H17N5O4S2/c1-8(23)19-13-14(25)21-17(22-15(13)26)27-7-12(24)20-16-10(6-18)9-4-2-3-5-11(9)28-16/h2-5,7H2,1H3,(H,19,23)(H,20,24)(H2,21,22,25,26)/p-1