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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-isopropylphenyl)-2-(m-tolylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-methylphenyl)methylthio]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-methylbenzyl)thio]-5-p-cumenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H22N2OS2 MolecularWeight: 406.56358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C(C)C)C(=O)N2

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C(C)C)C(=O)N2

InChI

InChI=1S/C23H22N2OS2/c1-14(2)17-7-9-18(10-8-17)19-13-27-22-20(19)21(26)24-23(25-22)28-12-16-6-4-5-15(3)11-16/h4-11,13-14H,12H2,1-3H3,(H,24,25,26)