2-methylsulfanyl-4-phenylazanyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylsulfanyl-4-phenylazanyl-pyrimidine-5-carboxylate Openeye Name: 4-anilino-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-anilino-2-(methylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-anilino-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-anilino-2-(methylthio)pyrimidine-5-carboxylate Formula: C12H10N3O2S- MolecularWeight: 260.2917

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C12H11N3O2S/c1-18-12-13-7-9(11(16)17)10(15-12)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)(H,13,14,15)/p-1