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

Systemtic Name: ethyl 4-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-phenylpyrimidin-4-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3S/c1-2-26-19(25)23-10-8-22(9-11-23)18(24)13-27-17-12-16(20-14-21-17)15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3