N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine

Systemtic Name: N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine Openeye Name: N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine CAS Name: N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-(2-pyrimidinylthio)-1-propanamine IUPAC Name: N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine Traditional Name: [4-(4-chlorobenzyl)oxy-3-methoxy-benzyl]-[3-(2-pyrimidylthio)propyl]amine Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCCSC2=NC=CC=N2)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCCSC2=NC=CC=N2)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O2S/c1-27-21-14-18(15-24-10-3-13-29-22-25-11-2-12-26-22)6-9-20(21)28-16-17-4-7-19(23)8-5-17/h2,4-9,11-12,14,24H,3,10,13,15-16H2,1H3