A1JKK
Summary
| Name: | 4-(5-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine |
| Formula: | C10 H11 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 238.674 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(5-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H11ClN4O/c11-7-5-12-9-8(7)10(14-6-13-9)15-1-3-16-4-2-15/h5-6H,1-4H2,(H,12,13,14) |
| InChIKey | InChI | 1.06 | JUACSCUTEIIXAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1c[nH]c2ncnc(N3CCOCC3)c12 |
| SMILES | CACTVS | 3.385 | Clc1c[nH]c2ncnc(N3CCOCC3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c2c([nH]1)ncnc2N3CCOCC3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c2c([nH]1)ncnc2N3CCOCC3)Cl |
