methyl 4-methylsulfanyl-2-phenyl-6-phenylazanyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-methylsulfanyl-2-phenyl-6-phenylazanyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-anilino-6-methylsulfanyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-anilino-6-(methylthio)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-anilino-6-methylsulfanyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-anilino-6-(methylthio)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O2S/c1-24-19(23)15-17(20-14-11-7-4-8-12-14)21-16(22-18(15)25-2)13-9-5-3-6-10-13/h3-12H,1-2H3,(H,20,21,22)