4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile (Q27455983)

4-[(2-Azanyl-6-Oxidanylidene-1,9-Dihydropurin-8-Yl)sulfanylmethyl]-3-Fluoranyl-Benzenecarbonitrile (English)

19 October 2016

chemical formula

C₁₃H₉FN₆OS

1 reference

4-[(2-Azanyl-6-Oxidanylidene-1,9-Dihydropurin-8-Yl)sulfanylmethyl]-3-Fluoranyl-Benzenecarbonitrile (English)

19 October 2016

canonical SMILES

C1=CC(=C(C=C1C#N)F)CSC2=NC3=C(N2)C(=O)N=C(N3)N

1 reference

4-[(2-Azanyl-6-Oxidanylidene-1,9-Dihydropurin-8-Yl)sulfanylmethyl]-3-Fluoranyl-Benzenecarbonitrile (English)

InChI=1S/C13H9FN6OS/c14-8-3-6(4-15)1-2-7(8)5-22-13-17-9-10(19-13)18-12(16)20-11(9)21/h1-3H,5H2,(H4,16,17,18,19,20,21)

19 October 2016

Identifiers

InChI

1 reference

4-[(2-Azanyl-6-Oxidanylidene-1,9-Dihydropurin-8-Yl)sulfanylmethyl]-3-Fluoranyl-Benzenecarbonitrile (English)

GEUVDHJEINQZML-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

4-[(2-Azanyl-6-Oxidanylidene-1,9-Dihydropurin-8-Yl)sulfanylmethyl]-3-Fluoranyl-Benzenecarbonitrile (English)

19 October 2016

1 reference

4-[(2-Azanyl-6-Oxidanylidene-1,9-Dihydropurin-8-Yl)sulfanylmethyl]-3-Fluoranyl-Benzenecarbonitrile (English)

matched by identifier from

19 October 2016

135567099

1 reference

InChIKey

GEUVDHJEINQZML-UHFFFAOYSA-N

0 references

1 reference

5ETO (English)

19 October 2016

1 reference

5ETT (English)