5-(4-tert-butylphenyl)-2-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-tert-butylphenyl)-2-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-tert-butylphenyl)-2-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-tert-butylphenyl)-2-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-tert-butylphenyl)-2-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-tert-butylphenyl)-2-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19ClN2OS MolecularWeight: 394.91706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2OS/c1-22(2,3)15-8-4-13(5-9-15)17-12-27-21-18(17)20(26)24-19(25-21)14-6-10-16(23)11-7-14/h4-12H,1-3H3,(H,24,25,26)