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

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[2-(4-chlorophenoxy)ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H13ClN2O4S MolecularWeight: 364.80342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H13ClN2O4S/c1-9-12-14(24-13(9)16(21)22)18-8-19(15(12)20)6-7-23-11-4-2-10(17)3-5-11/h2-5,8H,6-7H2,1H3,(H,21,22)