ethyl 4-(2,5-dimethylphenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2,5-dimethylphenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,5-dimethylphenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(2,5-dimethylphenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dimethylphenyl)sulfanyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[(2,5-dimethylphenyl)thio]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S/c1-4-25-21(24)17-13-22-19(16-8-6-5-7-9-16)23-20(17)26-18-12-14(2)10-11-15(18)3/h5-13H,4H2,1-3H3