3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-(5-purin-9-ylsulfanylpentyl)urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-(5-purin-9-ylsulfanylpentyl)urea Openeye Name: 3-(2,4-difluorophenyl)-1-heptyl-1-(5-purin-9-ylsulfanylpentyl)urea CAS Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[5-(9-purinylthio)pentyl]urea IUPAC Name: 3-(2,4-difluorophenyl)-1-heptyl-1-(5-purin-9-ylsulfanylpentyl)urea Traditional Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[5-(purin-9-ylthio)pentyl]urea Formula: C24H32F2N6OS MolecularWeight: 490.612286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSN1C=NC2=CN=CN=C21)C(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCCCCCCN(CCCCCSN1C=NC2=CN=CN=C21)C(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C24H32F2N6OS/c1-2-3-4-5-7-12-31(24(33)30-21-11-10-19(25)15-20(21)26)13-8-6-9-14-34-32-18-29-22-16-27-17-28-23(22)32/h10-11,15-18H,2-9,12-14H2,1H3,(H,30,33)