(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-bromanylbenzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-bromanylbenzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C14H9BrN2O3S MolecularWeight: 365.20186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C14H9BrN2O3S/c15-9-3-1-2-8(6-9)14(19)20-7-11-16-10-4-5-21-12(10)13(18)17-11/h1-6H,7H2,(H,16,17,18)