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

Systemtic Name: N-[2-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]ethyl]-2-methylsulfanyl-pyrimidin-4-amine Openeye Name: N-[2-[4-(3,4-dichlorophenoxy)-1-piperidyl]ethyl]-2-methylsulfanyl-pyrimidin-4-amine CAS Name: N-[2-[4-(3,4-dichlorophenoxy)-1-piperidinyl]ethyl]-2-(methylthio)-4-pyrimidinamine IUPAC Name: N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-methylsulfanylpyrimidin-4-amine Traditional Name: 2-[4-(3,4-dichlorophenoxy)piperidino]ethyl-[2-(methylthio)pyrimidin-4-yl]amine Formula: C18H22Cl2N4OS MolecularWeight: 413.36448

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)NCCN2CCC(CC2)OC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CSC1=NC=CC(=N1)NCCN2CCC(CC2)OC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H22Cl2N4OS/c1-26-18-22-7-4-17(23-18)21-8-11-24-9-5-13(6-10-24)25-14-2-3-15(19)16(20)12-14/h2-4,7,12-13H,5-6,8-11H2,1H3,(H,21,22,23)