A1BJI
Summary
| Name: | 4-[3-(1H-pyrazol-1-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
| Formula: | C12 H12 N6 |
| Formal charge: | 0 |
| Formula weight: | 240.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-[3-(1H-pyrazol-1-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
| OpenEye OEToolkits | 3.1.0.0 | 4-(3-pyrazol-1-ylazetidin-1-yl)-7~{H}-pyrrolo[2,3-d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C1N(CC1n1cccn1)c1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C12H12N6/c1-3-16-18(5-1)9-6-17(7-9)12-10-2-4-13-11(10)14-8-15-12/h1-5,8-9H,6-7H2,(H,13,14,15) |
| InChIKey | InChI | 1.06 | GPQSZYLATAYIPJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1C(CN1c2ncnc3[nH]ccc23)n4cccn4 |
| SMILES | CACTVS | 3.385 | C1C(CN1c2ncnc3[nH]ccc23)n4cccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cnn(c1)C2CN(C2)c3c4cc[nH]c4ncn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cnn(c1)C2CN(C2)c3c4cc[nH]c4ncn3 |
