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

Systemtic Name: ethyl 4-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H25N5O3S MolecularWeight: 379.4771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C17H25N5O3S/c1-2-25-17(24)22-9-7-21(8-10-22)16(23)12-26-15-11-14(18-13-19-15)20-5-3-4-6-20/h11,13H,2-10,12H2,1H3