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

Systemtic Name: 2-[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)propionamide Formula: C27H20BrN3O3S MolecularWeight: 546.435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3C=NC4=C(C3=O)C(=CS4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3C=NC4=C(C3=O)C(=CS4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H20BrN3O3S/c1-17(25(32)30-20-11-13-22(14-12-20)34-21-5-3-2-4-6-21)31-16-29-26-24(27(31)33)23(15-35-26)18-7-9-19(28)10-8-18/h2-17H,1H3,(H,30,32)