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

Systemtic Name: 5-(4-methylphenyl)-2-(3-phenylpropylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3-phenylpropylsulfanyl)-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(3-phenylpropylthio)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-methylphenyl)-2-(3-phenylpropylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(3-phenylpropylthio)-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N2OS2 MolecularWeight: 392.537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCCC4=CC=CC=C4

InChI

InChI=1S/C22H20N2OS2/c1-15-9-11-17(12-10-15)18-14-27-21-19(18)20(25)23-22(24-21)26-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,23,24,25)