2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[(5-acetamido-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C17H17N5O4S2 MolecularWeight: 419.47798

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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)