[3-(2-pyrimidin-2-ylsulfanylethoxy)phenyl]methanamine

Systemtic Name: [3-(2-pyrimidin-2-ylsulfanylethoxy)phenyl]methanamine Openeye Name: [3-(2-pyrimidin-2-ylsulfanylethoxy)phenyl]methanamine CAS Name: [3-[2-(2-pyrimidinylthio)ethoxy]phenyl]methanamine IUPAC Name: [3-(2-pyrimidin-2-ylsulfanylethoxy)phenyl]methanamine Traditional Name: [3-[2-(2-pyrimidylthio)ethoxy]benzyl]amine Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCSC2=NC=CC=N2)CN

Isomeric SMILES

C1=CC(=CC(=C1)OCCSC2=NC=CC=N2)CN

InChI

InChI=1S/C13H15N3OS/c14-10-11-3-1-4-12(9-11)17-7-8-18-13-15-5-2-6-16-13/h1-6,9H,7-8,10,14H2