ethyl 4-[2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(6-morpholinopyrimidin-4-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[6-(4-morpholinyl)-4-pyrimidinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-morpholinopyrimidin-4-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCOCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCOCC3

InChI

InChI=1S/C17H25N5O4S/c1-2-26-17(24)22-5-3-21(4-6-22)16(23)12-27-15-11-14(18-13-19-15)20-7-9-25-10-8-20/h11,13H,2-10,12H2,1H3