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

Systemtic Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-butyl-ethanamide Openeye Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]-N-butyl-acetamide CAS Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]-N-butylacetamide IUPAC Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-butylacetamide Traditional Name: 2-[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]-N-butyl-acetamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)CC)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)CC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-3-5-10-22-16(25)11-24-12-23-19-18(20(24)26)17(15(4-2)27-19)13-6-8-14(21)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H,22,25)