| PDB CCD ID: | JY5 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H15 N5 O2 |
| InChI: | InChI=1S/C13H15N5O2/c14-12-11-13(16-8-15-12)18(9(17-11)4-3-6-19)10-5-1-2-7-20-10/h8,10,19H,1-2,5-7H2,(H2,14,15,16)/t10-/m1/s1 |
| InChIKey: | AVGMEYBYAVAZNQ-SNVBAGLBSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Nc1ncnc2n([C@H]3CCCCO3)c(nc12)C#CCO | | OpenEye OEToolkits 2.0.7 | c1nc(c2c(n1)n(c(n2)C#CCO)C3CCCCO3)N | | CACTVS 3.385 | Nc1ncnc2n([CH]3CCCCO3)c(nc12)C#CCO | | OpenEye OEToolkits 2.0.7 | c1nc(c2c(n1)n(c(n2)C#CCO)[C@H]3CCCCO3)N |
|
| Name: | 3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol |
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