2-cyclopentylsulfanyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-cyclopentylsulfanyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-cyclopentylsulfanyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(cyclopentylthio)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-cyclopentylsulfanyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(cyclopentylthio)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]ethanone Formula: C19H29N5OS MolecularWeight: 375.53146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

C1CCC(C1)SCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C19H29N5OS/c25-19(14-26-16-5-1-2-6-16)24-11-9-23(10-12-24)18-13-17(20-15-21-18)22-7-3-4-8-22/h13,15-16H,1-12,14H2