3-[3-(4-chloranylphenoxy)propyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 3-[3-(4-chloranylphenoxy)propyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[3-(4-chlorophenoxy)propyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[3-(4-chlorophenoxy)propyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[3-(4-chlorophenoxy)propyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[3-(4-chlorophenoxy)propyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCCOC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCCOC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H15ClN2O4S/c1-10-13-15(25-14(10)17(22)23)19-9-20(16(13)21)7-2-8-24-12-5-3-11(18)4-6-12/h3-6,9H,2,7-8H2,1H3,(H,22,23)