9IO
Summary
| Name: | ~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula: | C13 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 240.261 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H12N4O/c1-18-10-4-2-9(3-5-10)17-13-11-6-7-14-12(11)15-8-16-13/h2-8H,1H3,(H2,14,15,16,17) |
| InChIKey | InChI | 1.06 | DJHHJFCJDPLIQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Nc2ncnc3[nH]ccc23)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Nc2ncnc3[nH]ccc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Nc2c3cc[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Nc2c3cc[nH]c3ncn2 |
