3-phenylsulfanyl-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-phenylsulfanyl-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-phenylsulfanyl-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 3-(phenylthio)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-phenylsulfanyl-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(phenylthio)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C22H29N5OS/c28-22(9-16-29-19-7-3-1-4-8-19)27-14-12-26(13-15-27)21-17-20(23-18-24-21)25-10-5-2-6-11-25/h1,3-4,7-8,17-18H,2,5-6,9-16H2