YRZ
Summary
| Name: | N-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine |
| Formula: | C13 H18 N6 |
| Formal charge: | 0 |
| Formula weight: | 258.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(c1c(NCC1)n3nccc23)NC4CCCNC4 |
| InChI | InChI | 1.03 | InChI=1S/C13H18N6/c1-2-9(8-14-5-1)17-12-10-3-6-15-13(10)19-11(18-12)4-7-16-19/h4,7,9,14-15H,1-3,5-6,8H2,(H,17,18)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | BRLBLOAZCZCBIY-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CNC[C@H](C1)Nc2nc3ccnn3c4NCCc24 |
| SMILES | CACTVS | 3.385 | C1CNC[CH](C1)Nc2nc3ccnn3c4NCCc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cnn2c1nc(c3c2NCC3)N[C@H]4CCCNC4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cnn2c1nc(c3c2NCC3)NC4CCCNC4 |
