(Q27162598)

CHEMBL1946325 (English)

19 October 2016

chemical formula

C₂₃H₂₃FN₆O

1 reference

CHEMBL1946325 (English)

19 October 2016

canonical SMILES

COC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)NC4=CC=CC=C4F)C5CCCC5

1 reference

CHEMBL1946325 (English)

InChI=1S/C23H23FN6O/c1-31-17-12-10-15(11-13-17)26-22-25-14-20-21(29-22)30(16-6-2-3-7-16)23(28-20)27-19-9-5-4-8-18(19)24/h4-5,8-14,16H,2-3,6-7H2,1H3,(H,27,28)(H,25,26,29)

19 October 2016

Identifiers

InChI

1 reference

CHEMBL1946325 (English)

IMFVPVKPQOQCBY-UHFFFAOYSA-N

19 October 2016

InChIKey

2 references

CHEMBL1946325 (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

9-Cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine (English)

19 October 2016

2 references

CHEMBL1946325 (English)

matched by identifier from

19 October 2016

InChIKey

IMFVPVKPQOQCBY-UHFFFAOYSA-N

Reaxys registry number

12671863

1 reference

9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine (English)

19 October 2016

ChEBI ID

90530

mapping relation type

2 references

9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H23FN6O/c1-31-17-12-10-15(11-13-17)26-22-25-14-20-21(29-22)30(16-6-2-3-7-16)23(28-20)27-19-9-5-4-8-18(19)24/h4-5,8-14,16H,2-3,6-7H2,1H3,(H,27,28)(H,25,26,29)

1 reference

CHEMBL1946325 (English)

19 October 2016

1 reference

0 references

1 reference

3TTJ (English)