6-azanyl-4-ethynyl-3-[8-(3-fluorophenyl)purin-9-yl]-2-(1-oxidanylhexyl)benzenecarbonitrile

Systemtic Name: 6-azanyl-4-ethynyl-3-[8-(3-fluorophenyl)purin-9-yl]-2-(1-oxidanylhexyl)benzenecarbonitrile Openeye Name: 6-amino-4-ethynyl-3-[8-(3-fluorophenyl)purin-9-yl]-2-(1-hydroxyhexyl)benzonitrile CAS Name: 6-amino-4-ethynyl-3-[8-(3-fluorophenyl)-9-purinyl]-2-(1-hydroxyhexyl)benzonitrile IUPAC Name: 6-amino-4-ethynyl-3-[8-(3-fluorophenyl)purin-9-yl]-2-(1-hydroxyhexyl)benzonitrile Traditional Name: 6-amino-4-ethynyl-3-[8-(3-fluorophenyl)purin-9-yl]-2-(1-hydroxyhexyl)benzonitrile Formula: C26H23FN6O MolecularWeight: 454.498823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C(=CC(=C1C#N)N)C#C)N2C(=NC3=CN=CN=C32)C4=CC(=CC=C4)F)O

Isomeric SMILES

CCCCCC(C1=C(C(=CC(=C1C#N)N)C#C)N2C(=NC3=CN=CN=C32)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C26H23FN6O/c1-3-5-6-10-22(34)23-19(13-28)20(29)12-16(4-2)24(23)33-25(17-8-7-9-18(27)11-17)32-21-14-30-15-31-26(21)33/h2,7-9,11-12,14-15,22,34H,3,5-6,10,29H2,1H3