2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acetamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CSC2=CC3=C(C=C2)OCCO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CSC2=CC3=C(C=C2)OCCO3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O3S/c27-20(16-30-17-3-4-18-19(15-17)29-14-13-28-18)22-7-2-8-25-9-11-26(12-10-25)21-23-5-1-6-24-21/h1,3-6,15H,2,7-14,16H2,(H,22,27)