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

Systemtic Name: 3-phenylsulfanyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-phenylsulfanyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(phenylthio)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-phenylsulfanyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(phenylthio)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C21H27N5OS/c27-21(8-15-28-18-6-2-1-3-7-18)26-13-11-25(12-14-26)20-16-19(22-17-23-20)24-9-4-5-10-24/h1-3,6-7,16-17H,4-5,8-15H2