W5D
Summary
| Name: | 4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine |
| Formula: | C13 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 246.308 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine |
| OpenEye OEToolkits | 2.0.7 | 4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-oxazonane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(c1ccnc1ncn2)N3CCOCCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C13H18N4O/c1-2-6-17(7-9-18-8-3-1)13-11-4-5-14-12(11)15-10-16-13/h4-5,10H,1-3,6-9H2,(H,14,15,16) |
| InChIKey | InChI | 1.03 | UZDOXWRWKJXTPZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCOCCN(CC1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | C1CCOCCN(CC1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCCCCOCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCCCCOCC3 |
