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

Systemtic Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-chloro-6-(4-piperonylpiperazino)pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C26H28ClN5O3S MolecularWeight: 526.05022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)SCC(=O)NCCC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)SCC(=O)NCCC5=CC=CC=C5)Cl

InChI

InChI=1S/C26H28ClN5O3S/c27-23-15-24(30-26(29-23)36-17-25(33)28-9-8-19-4-2-1-3-5-19)32-12-10-31(11-13-32)16-20-6-7-21-22(14-20)35-18-34-21/h1-7,14-15H,8-13,16-18H2,(H,28,33)