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

Systemtic Name: 5-(4-tert-butylphenyl)-6-ethyl-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-tert-butylphenyl)-6-ethyl-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-tert-butylphenyl)-6-ethyl-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-tert-butylphenyl)-6-ethyl-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(2-fluorobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H25FN2OS MolecularWeight: 420.542203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC=C3F)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC=C3F)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H25FN2OS/c1-5-19-21(15-10-12-17(13-11-15)25(2,3)4)22-23(29)27-20(28-24(22)30-19)14-16-8-6-7-9-18(16)26/h6-13H,5,14H2,1-4H3,(H,27,28,29)