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

Systemtic Name: methyl 3-azanyl-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 3-amino-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-amino-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-amino-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H14BrN3O4S2 MolecularWeight: 468.34476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O4S2/c1-8-12-14(27-13(8)16(24)25-2)20-17(21(19)15(12)23)26-7-11(22)9-3-5-10(18)6-4-9/h3-6H,7,19H2,1-2H3