2-methoxyethyl 3-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 3-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 3-[2-(5-bromobenzofuran-2-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(5-bromo-2-benzofuranyl)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(5-bromobenzofuran-2-yl)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C21H17BrN2O6S MolecularWeight: 505.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(O3)C=CC(=C4)Br)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(O3)C=CC(=C4)Br)C(=O)OCCOC

InChI

InChI=1S/C21H17BrN2O6S/c1-11-17-19(31-18(11)21(27)29-6-5-28-2)23-10-24(20(17)26)9-14(25)16-8-12-7-13(22)3-4-15(12)30-16/h3-4,7-8,10H,5-6,9H2,1-2H3