A1BJZ
Summary
| Name: | 3-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)but-3-en-1-ol |
| Formula: | C11 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 203.24 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)but-3-en-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | 3-(6-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)but-3-en-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C=C(CCO)c1ncnc2[NH]c(C)cc12 |
| InChI | InChI | 1.06 | InChI=1S/C11H13N3O/c1-7(3-4-15)10-9-5-8(2)14-11(9)13-6-12-10/h5-6,15H,1,3-4H2,2H3,(H,12,13,14) |
| InChIKey | InChI | 1.06 | JCVNBIAIOPLKDD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c2ncnc(C(=C)CCO)c2c1 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c2ncnc(C(=C)CCO)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc2c(ncnc2[nH]1)C(=C)CCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc2c(ncnc2[nH]1)C(=C)CCO |
