2-hexylsulfanyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-hexylsulfanyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-hexylsulfanyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(hexylthio)-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-hexylsulfanyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(hexylthio)-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H22N2OS2 MolecularWeight: 358.52078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2OS2/c1-3-4-5-6-11-23-19-20-17(22)16-15(12-24-18(16)21-19)14-9-7-13(2)8-10-14/h7-10,12H,3-6,11H2,1-2H3,(H,20,21,22)