N-[(5-chloranyl-2-ethoxy-phenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propan-1-amine hydrochloride

Systemtic Name: N-[(5-chloranyl-2-ethoxy-phenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propan-1-amine hydrochloride Openeye Name: N-[(5-chloro-2-ethoxy-phenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propan-1-amine hydrochloride CAS Name: N-[(5-chloro-2-ethoxyphenyl)methyl]-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-propanamine hydrochloride IUPAC Name: N-[(5-chloro-2-ethoxyphenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine hydrochloride Traditional Name: (5-chloro-2-ethoxy-benzyl)-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl]amine hydrochloride Formula: C18H25Cl2N3OS MolecularWeight: 402.3816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3OS.ClH/c1-4-23-17-7-6-16(19)11-15(17)12-20-8-5-9-24-18-21-13(2)10-14(3)22-18;/h6-7,10-11,20H,4-5,8-9,12H2,1-3H3;1H