(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic 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 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C12H6Br2N2O3S2 MolecularWeight: 450.12564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC2=C1NC(=NC2=O)COC(=O)C3=CC(=C(S3)Br)Br

Isomeric SMILES

C1=CSC2=C1NC(=NC2=O)COC(=O)C3=CC(=C(S3)Br)Br

InChI

InChI=1S/C12H6Br2N2O3S2/c13-5-3-7(21-10(5)14)12(18)19-4-8-15-6-1-2-20-9(6)11(17)16-8/h1-3H,4H2,(H,15,16,17)