6J9
Summary
| Name: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine |
| Formula: | C10 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 203.244 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine |
| OpenEye OEToolkits | 2.0.4 | 4-piperazin-1-yl-7~{H}-pyrrolo[2,3-d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(c1c(ncc1)ncn2)N3CCNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14) |
| InChIKey | InChI | 1.03 | LZSXQBNNRGZPES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCN1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | C1CN(CCN1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1c[nH]c2c1c(ncn2)N3CCNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1c[nH]c2c1c(ncn2)N3CCNCC3 |
