ethyl 4-azanyl-2-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[3-[(2-chlorophenyl)thio]-1-oxopropoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[3-[(2-chlorophenyl)thio]propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20ClN3O4S2 MolecularWeight: 465.9735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCSC3=CC=CC=C3Cl)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCSC3=CC=CC=C3Cl)N)C

InChI

InChI=1S/C20H20ClN3O4S2/c1-3-27-20(26)17-11(2)16-18(22)23-14(24-19(16)30-17)10-28-15(25)8-9-29-13-7-5-4-6-12(13)21/h4-7H,3,8-10H2,1-2H3,(H2,22,23,24)