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

Systemtic Name: 2-[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: 2-[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: N-benzyl-2-[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O2S/c22-16-8-6-15(7-9-16)17-12-28-20-19(17)21(27)25(13-24-20)11-18(26)23-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,26)