2-(phenylmethylsulfanyl)-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-(4-isopropylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-p-cumenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N2OS2 MolecularWeight: 392.537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H20N2OS2/c1-14(2)16-8-10-17(11-9-16)18-13-26-21-19(18)20(25)23-22(24-21)27-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,23,24,25)