N-[6-acetamido-2-(cyanomethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-acetamido-2-(cyanomethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[6-acetamido-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[6-acetamido-2-(cyanomethylthio)-4-oxo-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-acetamido-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-acetamido-2-(cyanomethylthio)-4-keto-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C13H11N5O3S2 MolecularWeight: 349.38814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCC#N)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC#N)NC(=O)C2=CC=CS2

InChI

InChI=1S/C13H11N5O3S2/c1-7(19)15-10-9(16-11(20)8-3-2-5-22-8)12(21)18-13(17-10)23-6-4-14/h2-3,5H,6H2,1H3,(H,16,20)(H2,15,17,18,19,21)