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

Systemtic Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetamide Formula: C21H16BrN3OS2 MolecularWeight: 470.40524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3OS2/c22-16-8-6-15(7-9-16)17-11-27-20-19(17)21(25-13-24-20)28-12-18(26)23-10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,23,26)