(4-tert-butylcyclohexyl) 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: (4-tert-butylcyclohexyl) 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (4-tert-butylcyclohexyl) 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid (4-tert-butylcyclohexyl) ester Formula: C26H31BrN2O3S MolecularWeight: 531.50494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OC3CCC(CC3)C(C)(C)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OC3CCC(CC3)C(C)(C)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H31BrN2O3S/c1-5-20-22(16-6-10-18(27)11-7-16)23-24(33-20)28-15-29(25(23)31)14-21(30)32-19-12-8-17(9-13-19)26(2,3)4/h6-7,10-11,15,17,19H,5,8-9,12-14H2,1-4H3