JIJ
Summary
| Name: | 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine |
| Formula: | C10 H12 N4 |
| Formal charge: | 0 |
| Formula weight: | 188.229 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine |
| OpenEye OEToolkits | 2.0.7 | 4-pyrrolidin-1-yl-7~{H}-pyrrolo[2,3-d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cnc(c2cc[NH]c12)N1CCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C10H12N4/c1-2-6-14(5-1)10-8-3-4-11-9(8)12-7-13-10/h3-4,7H,1-2,5-6H2,(H,11,12,13) |
| InChIKey | InChI | 1.03 | IWEVZVZLDUSNNB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCN(C1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | C1CCN(C1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCCC3 |
