N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-4-yl-methanamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-4-yl-methanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(4-pyridyl)methanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(methylthio)-5-pyrimidinyl]methyl]-1-pyridin-4-ylmethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-4-ylmethanamine Traditional Name: [2-(methylthio)pyrimidin-5-yl]methyl-piperonyl-(4-pyridylmethyl)amine Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN(CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=NC=C(C=N1)CN(CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O2S/c1-27-20-22-9-17(10-23-20)13-24(11-15-4-6-21-7-5-15)12-16-2-3-18-19(8-16)26-14-25-18/h2-10H,11-14H2,1H3