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

Systemtic Name: ethyl 2-[(4-bromophenyl)sulfanylmethyl]-4-chloranyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-bromophenyl)sulfanylmethyl]-4-chloro-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(4-bromophenyl)thio]methyl]-4-chloro-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)sulfanylmethyl]-4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(4-bromophenyl)thio]methyl]-4-chloro-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H14BrClN2O2S2 MolecularWeight: 457.79226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2Cl)CSC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2Cl)CSC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C17H14BrClN2O2S2/c1-3-23-17(22)14-9(2)13-15(19)20-12(21-16(13)25-14)8-24-11-6-4-10(18)5-7-11/h4-7H,3,8H2,1-2H3