N-[3-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]propyl]-2-(methylsulfanylmethyl)pyrimidin-4-amine

Systemtic Name: N-[3-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]propyl]-2-(methylsulfanylmethyl)pyrimidin-4-amine Openeye Name: N-[3-[4-(3,4-dichlorophenoxy)-1-piperidyl]propyl]-2-(methylsulfanylmethyl)pyrimidin-4-amine CAS Name: N-[3-[4-(3,4-dichlorophenoxy)-1-piperidinyl]propyl]-2-[(methylthio)methyl]-4-pyrimidinamine IUPAC Name: N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-2-(methylsulfanylmethyl)pyrimidin-4-amine Traditional Name: 3-[4-(3,4-dichlorophenoxy)piperidino]propyl-[2-[(methylthio)methyl]pyrimidin-4-yl]amine Formula: C20H26Cl2N4OS MolecularWeight: 441.41764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC=CC(=N1)NCCCN2CCC(CC2)OC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CSCC1=NC=CC(=N1)NCCCN2CCC(CC2)OC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H26Cl2N4OS/c1-28-14-20-24-9-5-19(25-20)23-8-2-10-26-11-6-15(7-12-26)27-16-3-4-17(21)18(22)13-16/h3-5,9,13,15H,2,6-8,10-12,14H2,1H3,(H,23,24,25)