2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)ethanamide

Systemtic Name: 2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)ethanamide Openeye Name: 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)acetamide CAS Name: 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)acetamide IUPAC Name: 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)acetamide Traditional Name: 2-[(5-acetamido-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)acetamide Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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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)CCCCCC3)C#N)O

Isomeric SMILES

CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2=C(C3=C(S2)CCCCCC3)C#N)O

InChI

InChI=1S/C19H21N5O4S2/c1-10(25)21-15-16(27)23-19(24-17(15)28)29-9-14(26)22-18-12(8-20)11-6-4-2-3-5-7-13(11)30-18/h2-7,9H2,1H3,(H,21,25)(H,22,26)(H2,23,24,27,28)