ethyl 4-phenylazanyl-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-phenylazanyl-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-anilino-2-benzylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-anilino-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-anilino-2-benzylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-anilino-2-(benzylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O2S/c1-2-25-19(24)17-13-21-20(26-14-15-9-5-3-6-10-15)23-18(17)22-16-11-7-4-8-12-16/h3-13H,2,14H2,1H3,(H,21,22,23)