2-methylsulfanyl-4-phenylazanyl-6-phenylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-phenylazanyl-6-phenylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-anilino-2-methylsulfanyl-6-phenylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-anilino-2-(methylthio)-6-(phenylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-anilino-2-methylsulfanyl-6-phenylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-anilino-2-(methylthio)-6-(phenylthio)pyrimidine-5-carboxylic acid Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)SC2=CC=CC=C2)C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)SC2=CC=CC=C2)C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O2S2/c1-24-18-20-15(19-12-8-4-2-5-9-12)14(17(22)23)16(21-18)25-13-10-6-3-7-11-13/h2-11H,1H3,(H,22,23)(H,19,20,21)