1-fluoranyl-3-octoxy-4-(5-octoxypyrimidin-2-yl)-5,6,7,8-tetrahydroisoquinoline

Systemtic Name: 1-fluoranyl-3-octoxy-4-(5-octoxypyrimidin-2-yl)-5,6,7,8-tetrahydroisoquinoline Openeye Name: 1-fluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)-5,6,7,8-tetrahydroisoquinoline CAS Name: 1-fluoro-3-octoxy-4-(5-octoxy-2-pyrimidinyl)-5,6,7,8-tetrahydroisoquinoline IUPAC Name: 1-fluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)-5,6,7,8-tetrahydroisoquinoline Traditional Name: 1-fluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)-5,6,7,8-tetrahydroisoquinoline Formula: C29H44FN3O2 MolecularWeight: 485.676963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=C3CCCCC3=C(N=C2OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=C3CCCCC3=C(N=C2OCCCCCCCC)F

InChI

InChI=1S/C29H44FN3O2/c1-3-5-7-9-11-15-19-34-23-21-31-28(32-22-23)26-24-17-13-14-18-25(24)27(30)33-29(26)35-20-16-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3