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

Systemtic Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C16H12BrN3OS MolecularWeight: 374.25498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H12BrN3OS/c1-2-12-13(10-3-5-11(17)6-4-10)14-15(22-12)19-9-20(8-7-18)16(14)21/h3-6,9H,2,8H2,1H3