W5G
Summary
| Name: | 4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine |
| Formula: | C13 H16 N4 |
| Formal charge: | 0 |
| Formula weight: | 228.293 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine |
| OpenEye OEToolkits | 2.0.7 | 4-(5-azaspiro[2.5]octan-5-yl)-7~{H}-pyrrolo[2,3-d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1nccc1c(nc2)N4CCCC3(CC3)C4 |
| InChI | InChI | 1.03 | InChI=1S/C13H16N4/c1-3-13(4-5-13)8-17(7-1)12-10-2-6-14-11(10)15-9-16-12/h2,6,9H,1,3-5,7-8H2,(H,14,15,16) |
| InChIKey | InChI | 1.03 | GGTHBUVHAUVHID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CC2(C1)CC2)c3ncnc4[nH]ccc34 |
| SMILES | CACTVS | 3.385 | C1CN(CC2(C1)CC2)c3ncnc4[nH]ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CC4 |
