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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C21H24ClN5O4S MolecularWeight: 477.96436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H24ClN5O4S/c1-13-10-26(5-6-27(13)14(2)28)19-8-18(22)24-21(25-19)32-11-20(29)23-9-15-3-4-16-17(7-15)31-12-30-16/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,23,29)