1-(4-phenylpiperazin-1-yl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-phenylpiperazino)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]ethanone Formula: C20H25N5OS MolecularWeight: 383.5104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N5OS/c26-20(25-12-10-23(11-13-25)17-6-2-1-3-7-17)15-27-19-14-18(21-16-22-19)24-8-4-5-9-24/h1-3,6-7,14,16H,4-5,8-13,15H2