2-methylsulfanyl-4-[(2-phenylazanylphenyl)amino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-[(2-phenylazanylphenyl)amino]pyrimidine-5-carboxylic acid Openeye Name: 4-(2-anilinoanilino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-anilinoanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-anilinoanilino)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-anilinoanilino)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC=CC=C2NC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC=CC=C2NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H16N4O2S/c1-25-18-19-11-13(17(23)24)16(22-18)21-15-10-6-5-9-14(15)20-12-7-3-2-4-8-12/h2-11,20H,1H3,(H,23,24)(H,19,21,22)