2-hexylsulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-hexylsulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-hexylsulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(hexylthio)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-hexylsulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(hexylthio)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H20N2OS2 MolecularWeight: 344.4942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C18H20N2OS2/c1-2-3-4-8-11-22-18-19-16(21)15-14(12-23-17(15)20-18)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,19,20,21)