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

Systemtic Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-pentyl-ethanamide Openeye Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-pentyl-acetamide CAS Name: 2-[[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-pentylacetamide IUPAC Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-pentylacetamide Traditional Name: N-amyl-2-[[4-chloro-6-(4-piperonylpiperazino)pyrimidin-2-yl]thio]acetamide Formula: C23H30ClN5O3S MolecularWeight: 492.034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN5O3S/c1-2-3-4-7-25-22(30)15-33-23-26-20(24)13-21(27-23)29-10-8-28(9-11-29)14-17-5-6-18-19(12-17)32-16-31-18/h5-6,12-13H,2-4,7-11,14-16H2,1H3,(H,25,30)