5-azanyl-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-azanyl-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-amino-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-amino-4-(3-methoxyphenyl)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-amino-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C(=C(SC3=NC(=N2)SC)C(=O)O)N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C(=C(SC3=NC(=N2)SC)C(=O)O)N

InChI

InChI=1S/C15H13N3O3S2/c1-21-8-5-3-4-7(6-8)11-9-10(16)12(14(19)20)23-13(9)18-15(17-11)22-2/h3-6H,16H2,1-2H3,(H,19,20)