5-(4-tert-butylphenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-tert-butylphenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-tert-butylphenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-tert-butylphenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-tert-butylphenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-tert-butylphenyl)-2-(3-chlorobenzyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H25ClN2OS MolecularWeight: 436.9968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H25ClN2OS/c1-5-19-21(16-9-11-17(12-10-16)25(2,3)4)22-23(29)27-20(28-24(22)30-19)14-15-7-6-8-18(26)13-15/h6-13H,5,14H2,1-4H3,(H,27,28,29)