4-methyl-6-(2-morpholin-4-ylethylsulfanyl)-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-(2-morpholin-4-ylethylsulfanyl)-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-methyl-6-(2-morpholinoethylsulfanyl)-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-[2-(4-morpholinyl)ethylthio]-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-(2-morpholin-4-ylethylsulfanyl)-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-methyl-6-(2-morpholinoethylthio)-2-phenyl-pyrimidine-5-carboxylic acid Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCN3CCOCC3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCN3CCOCC3)C(=O)O

InChI

InChI=1S/C18H21N3O3S/c1-13-15(18(22)23)17(25-12-9-21-7-10-24-11-8-21)20-16(19-13)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,22,23)