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

Systemtic Name: 5-(4-tert-butylphenyl)-2-[(3-chlorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-tert-butylphenyl)-2-[(3-chlorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-tert-butylphenyl)-2-[(3-chlorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-tert-butylphenyl)-2-[(3-chlorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-tert-butylphenyl)-2-(3-chlorobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H21ClN2OS MolecularWeight: 408.94364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H21ClN2OS/c1-23(2,3)16-9-7-15(8-10-16)18-13-28-22-20(18)21(27)25-19(26-22)12-14-5-4-6-17(24)11-14/h4-11,13H,12H2,1-3H3,(H,25,26,27)