N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]methyl]-2-[(5-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(5-phenylpyrimidin-2-yl)thio]-N-[(1-piperonylpyrrolidin-3-yl)methyl]acetamide Formula: C25H26N4O3S MolecularWeight: 462.56394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC(=O)CSC2=NC=C(C=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC1CNC(=O)CSC2=NC=C(C=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N4O3S/c30-24(16-33-25-27-12-21(13-28-25)20-4-2-1-3-5-20)26-11-19-8-9-29(15-19)14-18-6-7-22-23(10-18)32-17-31-22/h1-7,10,12-13,19H,8-9,11,14-17H2,(H,26,30)