N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoranyl-4-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoranyl-4-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-4-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(5-fluoro-4-pyrrolidino-pyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C18H19FN4O3S MolecularWeight: 390.431863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC=C2F)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC=C2F)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19FN4O3S/c19-13-9-21-18(22-17(13)23-5-1-2-6-23)27-10-16(24)20-8-12-3-4-14-15(7-12)26-11-25-14/h3-4,7,9H,1-2,5-6,8,10-11H2,(H,20,24)