4-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-N-phenyl-butanamide

Systemtic Name: 4-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-N-phenyl-butanamide Openeye Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-phenyl-butanamide CAS Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]-N-phenylbutanamide IUPAC Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-phenylbutanamide Traditional Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-phenyl-butyramide Formula: C29H29FN6O2 MolecularWeight: 512.577963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3CCCC(=O)NC4=CC=CC=C4)C5=CC(=CC=C5)F)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3CCCC(=O)NC4=CC=CC=C4)C5=CC(=CC=C5)F)O

InChI

InChI=1S/C29H29FN6O2/c30-21-10-7-9-20(19-21)27-35-25-26(31)33-23(14-17-29(38)15-5-2-6-16-29)34-28(25)36(27)18-8-13-24(37)32-22-11-3-1-4-12-22/h1,3-4,7,9-12,19,38H,2,5-6,8,13,15-16,18H2,(H,32,37)(H2,31,33,34)