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

Systemtic Name: ethyl 3-azanyl-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H16BrN3O4S2 MolecularWeight: 482.37134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)N)SCC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)N)SCC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H16BrN3O4S2/c1-3-26-17(25)14-9(2)13-15(28-14)21-18(22(20)16(13)24)27-8-12(23)10-4-6-11(19)7-5-10/h4-7H,3,8,20H2,1-2H3