2-methoxyethyl 3-[4-(4-chloranylphenoxy)butyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 3-[4-(4-chloranylphenoxy)butyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 3-[4-(4-chlorophenoxy)butyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[4-(4-chlorophenoxy)butyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-[4-(4-chlorophenoxy)butyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[4-(4-chlorophenoxy)butyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCCCOC3=CC=C(C=C3)Cl)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCCCOC3=CC=C(C=C3)Cl)C(=O)OCCOC

InChI

InChI=1S/C21H23ClN2O5S/c1-14-17-19(30-18(14)21(26)29-12-11-27-2)23-13-24(20(17)25)9-3-4-10-28-16-7-5-15(22)6-8-16/h5-8,13H,3-4,9-12H2,1-2H3