4-azanylidene-2-methyl-5-methylsulfanyl-3-phenyl-thieno[3,4-d]pyrimidine-7-carboxylic acid

Systemtic Name: 4-azanylidene-2-methyl-5-methylsulfanyl-3-phenyl-thieno[3,4-d]pyrimidine-7-carboxylic acid Openeye Name: 4-imino-2-methyl-5-methylsulfanyl-3-phenyl-thieno[3,4-d]pyrimidine-7-carboxylic acid CAS Name: 4-imino-2-methyl-5-(methylthio)-3-phenyl-7-thieno[3,4-d]pyrimidinecarboxylic acid IUPAC Name: 4-imino-2-methyl-5-methylsulfanyl-3-phenylthieno[3,4-d]pyrimidine-7-carboxylic acid Traditional Name: 4-imino-2-methyl-5-(methylthio)-3-phenyl-thieno[3,4-d]pyrimidine-7-carboxylic acid Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(SC(=C2C(=N)N1C3=CC=CC=C3)SC)C(=O)O

Isomeric SMILES

CC1=NC2=C(SC(=C2C(=N)N1C3=CC=CC=C3)SC)C(=O)O

InChI

InChI=1S/C15H13N3O2S2/c1-8-17-11-10(15(21-2)22-12(11)14(19)20)13(16)18(8)9-6-4-3-5-7-9/h3-7,16H,1-2H3,(H,19,20)