3-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]thio]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C22H30N8O2S MolecularWeight: 470.591

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCSCCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCSCCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N8O2S/c31-19(27-9-13-29(14-10-27)21-23-5-1-6-24-21)3-17-33-18-4-20(32)28-11-15-30(16-12-28)22-25-7-2-8-26-22/h1-2,5-8H,3-4,9-18H2