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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O2S/c1-13(19(26)24-16-5-3-2-4-6-16)25-12-23-20-18(21(25)27)17(11-28-20)14-7-9-15(22)10-8-14/h2-13H,1H3,(H,24,26)