A1A99
Summary
| Name: | (2R)-2-methyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol |
| Formula: | C11 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 220.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2R)-2-methyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-methyl-2-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(CC)(CO)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C11H16N4O/c1-3-11(2,6-16)15-10-8-4-5-12-9(8)13-7-14-10/h4-5,7,16H,3,6H2,1-2H3,(H2,12,13,14,15)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | NVFKJHHFCTUHFU-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@](C)(CO)Nc1ncnc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | CC[C](C)(CO)Nc1ncnc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC[C@](C)(CO)Nc1c2cc[nH]c2ncn1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(C)(CO)Nc1c2cc[nH]c2ncn1 |
