N-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-piperonyl-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O3S/c23-17(19-9-13-3-4-14-15(7-13)25-12-24-14)10-26-18-8-16(20-11-21-18)22-5-1-2-6-22/h3-4,7-8,11H,1-2,5-6,9-10,12H2,(H,19,23)