methyl 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 3-[2-(4-bromophenyl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-bromophenyl)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H13BrN2O4S MolecularWeight: 421.26512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O4S/c1-9-13-15(25-14(9)17(23)24-2)19-8-20(16(13)22)7-12(21)10-3-5-11(18)6-4-10/h3-6,8H,7H2,1-2H3