(1R,5S)-3-[3-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylpropyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

Systemtic Name: (1R,5S)-3-[3-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylpropyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane Openeye Name: (1R,5S)-3-[3-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylpropyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane CAS Name: (1R,5S)-3-[3-[[4-(4-methoxyphenyl)-2-pyrimidinyl]thio]propyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane IUPAC Name: (1R,5S)-3-[3-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylpropyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane Traditional Name: (1R,5S)-3-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]thio]propyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane Formula: C26H26F3N3OS MolecularWeight: 485.56435

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCCCN3CC4CC4(C3)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCCCN3C[C@@H]4C[C@@]4(C3)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C26H26F3N3OS/c1-33-22-9-3-18(4-10-22)23-11-12-30-24(31-23)34-14-2-13-32-16-21-15-25(21,17-32)19-5-7-20(8-6-19)26(27,28)29/h3-12,21H,2,13-17H2,1H3/t21-,25+/m0/s1