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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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