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

Systemtic Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)CCSC4=NC(=CC(=O)N4)O

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)CCSC4=NC(=CC(=O)N4)O

InChI

InChI=1S/C22H20N4O3S2/c23-12-16-15-7-6-14(13-4-2-1-3-5-13)10-17(15)31-21(16)24-18(27)8-9-30-22-25-19(28)11-20(29)26-22/h1-5,11,14H,6-10H2,(H,24,27)(H2,25,26,28,29)