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

Systemtic Name: 3-[4-(4-chloranylphenoxy)butyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[4-(4-chlorophenoxy)butyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[4-(4-chlorophenoxy)butyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[4-(4-chlorophenoxy)butyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[4-(4-chlorophenoxy)butyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S/c1-11-14-16(26-15(11)18(23)24)20-10-21(17(14)22)8-2-3-9-25-13-6-4-12(19)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H,23,24)