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

Systemtic Name: N-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine hydrochloride Openeye Name: N-[(5-chloro-2-methoxy-phenyl)methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine hydrochloride CAS Name: N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine hydrochloride IUPAC Name: N-[(5-chloro-2-methoxyphenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine hydrochloride Traditional Name: (5-chloro-2-methoxy-benzyl)-[3-(2-pyrimidylthio)propyl]amine hydrochloride Formula: C15H19Cl2N3OS MolecularWeight: 360.30186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CNCCCSC2=NC=CC=N2.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CNCCCSC2=NC=CC=N2.Cl

InChI

InChI=1S/C15H18ClN3OS.ClH/c1-20-14-5-4-13(16)10-12(14)11-17-6-3-9-21-15-18-7-2-8-19-15;/h2,4-5,7-8,10,17H,3,6,9,11H2,1H3;1H