N-[(5-chloranyl-2-ethoxy-phenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine

Systemtic Name: N-[(5-chloranyl-2-ethoxy-phenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine Openeye Name: N-[(5-chloro-2-ethoxy-phenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine CAS Name: N-[(5-chloro-2-ethoxyphenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine IUPAC Name: N-[(5-chloro-2-ethoxyphenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine Traditional Name: (5-chloro-2-ethoxy-benzyl)-[3-(2-pyrimidylthio)propyl]amine Formula: C16H20ClN3OS MolecularWeight: 337.8675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)CNCCCSC2=NC=CC=N2

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)CNCCCSC2=NC=CC=N2

InChI

InChI=1S/C16H20ClN3OS/c1-2-21-15-6-5-14(17)11-13(15)12-18-7-4-10-22-16-19-8-3-9-20-16/h3,5-6,8-9,11,18H,2,4,7,10,12H2,1H3