ethyl 4-methyl-6-(2-morpholin-4-ylethylsulfanyl)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(2-morpholin-4-ylethylsulfanyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(2-morpholinoethylsulfanyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[2-(4-morpholinyl)ethylthio]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(2-morpholin-4-ylethylsulfanyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(2-morpholinoethylthio)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCCN2CCOCC2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCCN2CCOCC2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3O3S/c1-3-26-20(24)17-15(2)21-18(16-7-5-4-6-8-16)22-19(17)27-14-11-23-9-12-25-13-10-23/h4-8H,3,9-14H2,1-2H3