4-azanyl-2-methyl-5-(phenylmethylsulfanyl)thieno[3,4-d]pyrimidine-7-carboxylic acid

Systemtic Name: 4-azanyl-2-methyl-5-(phenylmethylsulfanyl)thieno[3,4-d]pyrimidine-7-carboxylic acid Openeye Name: 4-amino-5-benzylsulfanyl-2-methyl-thieno[3,4-d]pyrimidine-7-carboxylic acid CAS Name: 4-amino-2-methyl-5-(phenylmethylthio)-7-thieno[3,4-d]pyrimidinecarboxylic acid IUPAC Name: 4-amino-5-benzylsulfanyl-2-methylthieno[3,4-d]pyrimidine-7-carboxylic acid Traditional Name: 4-amino-5-(benzylthio)-2-methyl-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(=N1)N)SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC2=C(SC(=C2C(=N1)N)SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C15H13N3O2S2/c1-8-17-11-10(13(16)18-8)15(22-12(11)14(19)20)21-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,19,20)(H2,16,17,18)