2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-ethoxy-ethanamide

Systemtic Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-ethoxy-ethanamide Openeye Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-ethoxy-acetamide CAS Name: 2-[[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-ethoxyacetamide IUPAC Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-ethoxyacetamide Traditional Name: 2-[[4-chloro-6-(4-piperonylpiperazino)pyrimidin-2-yl]thio]-N-ethoxy-acetamide Formula: C20H24ClN5O4S MolecularWeight: 465.95366

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCONC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24ClN5O4S/c1-2-30-24-19(27)12-31-20-22-17(21)10-18(23-20)26-7-5-25(6-8-26)11-14-3-4-15-16(9-14)29-13-28-15/h3-4,9-10H,2,5-8,11-13H2,1H3,(H,24,27)