5-azanyl-2-methylsulfanyl-4-naphthalen-2-yl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-azanyl-2-methylsulfanyl-4-naphthalen-2-yl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-amino-2-methylsulfanyl-4-(2-naphthyl)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-amino-2-(methylthio)-4-(2-naphthalenyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-amino-2-methylsulfanyl-4-naphthalen-2-ylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-amino-2-(methylthio)-4-(2-naphthyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H13N3O2S2 MolecularWeight: 367.44472

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C(=C(SC2=N1)C(=O)O)N)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CSC1=NC(=C2C(=C(SC2=N1)C(=O)O)N)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C18H13N3O2S2/c1-24-18-20-14(11-7-6-9-4-2-3-5-10(9)8-11)12-13(19)15(17(22)23)25-16(12)21-18/h2-8H,19H2,1H3,(H,22,23)