N-(1,3-benzodioxol-5-yl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2-pyridyl]thio]acetamide Formula: C23H22N6O4S MolecularWeight: 478.52358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N6O4S/c30-20(27-16-4-5-18-19(13-16)33-15-32-18)14-34-21-17(3-1-6-24-21)22(31)28-9-11-29(12-10-28)23-25-7-2-8-26-23/h1-8,13H,9-12,14-15H2,(H,27,30)