(4-bromanyl-2-methoxycarbonyl-phenyl) 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (4-bromanyl-2-methoxycarbonyl-phenyl) 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-bromo-2-methoxycarbonyl-phenyl) 3,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-bromo-2-methoxycarbonylphenyl) ester IUPAC Name: (4-bromo-2-methoxycarbonylphenyl) 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-bromo-2-carbomethoxy-phenyl) ester Formula: C17H13BrN2O5S MolecularWeight: 437.26452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)OC3=C(C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)OC3=C(C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C17H13BrN2O5S/c1-8-12-14(19-7-20(2)15(12)21)26-13(8)17(23)25-11-5-4-9(18)6-10(11)16(22)24-3/h4-7H,1-3H3