A1A71
Summary
| Name: | [(3S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-3-yl]methanol |
| Formula: | C11 H14 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 234.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(3S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-3-yl]methanol |
| OpenEye OEToolkits | 3.1.0.0 | [(3~{S})-4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-3-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC1COCCN1c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C11H14N4O2/c16-5-8-6-17-4-3-15(8)11-9-1-2-12-10(9)13-7-14-11/h1-2,7-8,16H,3-6H2,(H,12,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | ANYULURWNRNDKY-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1COCCN1c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | OC[CH]1COCCN1c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3CCOC[C@@H]3CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3CCOCC3CO |
