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1,8-bis(fluoranyl)-3-octoxy-4-(5-octoxypyrimidin-2-yl)isoquinoline

1,8-bis(fluoranyl)-3-octoxy-4-(5-octoxypyrimidin-2-yl)isoquinoline

Systemtic Name:1,8-bis(fluoranyl)-3-octoxy-4-(5-octoxypyrimidin-2-yl)isoquinoline
Openeye Name:1,8-difluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)isoquinoline
CAS Name:1,8-difluoro-3-octoxy-4-(5-octoxy-2-pyrimidinyl)isoquinoline
IUPAC Name:1,8-difluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)isoquinoline
Traditional Name:1,8-difluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)isoquinoline
Formula: C29H39F2N3O2
MolecularWeight: 499.635666
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=C(N=C(C3=C2C=CC=C3F)F)OCCCCCCCC


Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=C(N=C(C3=C2C=CC=C3F)F)OCCCCCCCC


InChI

InChI=1S/C29H39F2N3O2/c1-3-5-7-9-11-13-18-35-22-20-32-28(33-21-22)26-23-16-15-17-24(30)25(23)27(31)34-29(26)36-19-14-12-10-8-6-4-2/h15-17,20-21H,3-14,18-19H2,1-2H3


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