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

Systemtic Name: N-[(5-chloranyl-2-ethoxy-phenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propan-1-amine Openeye Name: N-[(5-chloro-2-ethoxy-phenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propan-1-amine CAS Name: N-[(5-chloro-2-ethoxyphenyl)methyl]-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-propanamine IUPAC Name: N-[(5-chloro-2-ethoxyphenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine Traditional Name: (5-chloro-2-ethoxy-benzyl)-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl]amine Formula: C18H24ClN3OS MolecularWeight: 365.92066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3OS/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