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

Systemtic Name: [2-(3-pyrimidin-2-ylsulfanylpropoxy)phenyl]methanamine Openeye Name: [2-(3-pyrimidin-2-ylsulfanylpropoxy)phenyl]methanamine CAS Name: [2-[3-(2-pyrimidinylthio)propoxy]phenyl]methanamine IUPAC Name: [2-(3-pyrimidin-2-ylsulfanylpropoxy)phenyl]methanamine Traditional Name: [2-[3-(2-pyrimidylthio)propoxy]benzyl]amine Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN)OCCCSC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)CN)OCCCSC2=NC=CC=N2

InChI

InChI=1S/C14H17N3OS/c15-11-12-5-1-2-6-13(12)18-9-4-10-19-14-16-7-3-8-17-14/h1-3,5-8H,4,9-11,15H2