ethyl 4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3S/c1-3-27-20(26)24-11-9-23(10-12-24)18(25)14-28-19-21-15(2)13-17(22-19)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3