K1D
Summary
| Name: | 6-(azetidin-1-yl)-9H-purine |
| Formula: | C8 H9 N5 |
| Formal charge: | 0 |
| Formula weight: | 175.191 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(azetidin-1-yl)-9H-purine |
| OpenEye OEToolkits | 2.0.6 | 6-(azetidin-1-yl)-9~{H}-purine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cnc1ncnc1c2N3CCC3 |
| InChI | InChI | 1.03 | InChI=1S/C8H9N5/c1-2-13(3-1)8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H2,(H,9,10,11,12) |
| InChIKey | InChI | 1.03 | ACPXQMYLXLKGKU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN(C1)c2ncnc3[nH]cnc23 |
| SMILES | CACTVS | 3.385 | C1CN(C1)c2ncnc3[nH]cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1[nH]c2c(n1)c(ncn2)N3CCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1[nH]c2c(n1)c(ncn2)N3CCC3 |
