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

Systemtic Name: 5-(4-tert-butylphenyl)-2-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-tert-butylphenyl)-2-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-tert-butylphenyl)-2-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-tert-butylphenyl)-2-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-tert-butylphenyl)-2-(2-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=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C4=CC=CC=C4Cl

InChI

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