2-[6-azanyl-1-ethynyl-8-(3-fluorophenyl)-2-(1-oxidanylcyclohexyl)-6H-purin-9-yl]-N'-cyano-benzenecarboximidamide

Systemtic Name: 2-[6-azanyl-1-ethynyl-8-(3-fluorophenyl)-2-(1-oxidanylcyclohexyl)-6H-purin-9-yl]-N'-cyano-benzenecarboximidamide Openeye Name: 2-[6-amino-1-ethynyl-8-(3-fluorophenyl)-2-(1-hydroxycyclohexyl)-6H-purin-9-yl]-N'-cyano-benzamidine CAS Name: 2-[6-amino-1-ethynyl-8-(3-fluorophenyl)-2-(1-hydroxycyclohexyl)-6H-purin-9-yl]-N'-cyanobenzenecarboximidamide IUPAC Name: 2-[6-amino-1-ethynyl-8-(3-fluorophenyl)-2-(1-hydroxycyclohexyl)-6H-purin-9-yl]-N'-cyanobenzenecarboximidamide Traditional Name: 2-[6-amino-1-ethynyl-8-(3-fluorophenyl)-2-(1-hydroxycyclohexyl)-6H-purin-9-yl]-N'-cyano-benzamidine Formula: C27H25FN8O MolecularWeight: 496.538803

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Descriptors Computed from Structure

Canonical SMILES:

C#CN1C(C2=C(N=C1C3(CCCCC3)O)N(C(=N2)C4=CC(=CC=C4)F)C5=CC=CC=C5C(=NC#N)N)N

Isomeric SMILES

C#CN1C(C2=C(N=C1C3(CCCCC3)O)N(C(=N2)C4=CC(=CC=C4)F)C5=CC=CC=C5C(=NC#N)N)N

InChI

InChI=1S/C27H25FN8O/c1-2-35-23(31)21-25(34-26(35)27(37)13-6-3-7-14-27)36(24(33-21)17-9-8-10-18(28)15-17)20-12-5-4-11-19(20)22(30)32-16-29/h1,4-5,8-12,15,23,37H,3,6-7,13-14,31H2,(H2,30,32)