BDI
Summary
| Name: | 2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE |
| Formula: | C9 H12 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 208.217 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-butyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione |
| OpenEye OEToolkits | 1.5.0 | 2-butyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1nc(nc1C(=O)NN2)CCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCc1[nH]c2C(=O)NNC(=O)c2n1 |
| SMILES | CACTVS | 3.341 | CCCCc1[nH]c2C(=O)NNC(=O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCc1[nH]c2c(n1)C(=O)NNC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCc1[nH]c2c(n1)C(=O)NNC2=O |
| InChI | InChI | 1.03 | InChI=1S/C9H12N4O2/c1-2-3-4-5-10-6-7(11-5)9(15)13-12-8(6)14/h2-4H2,1H3,(H,10,11)(H,12,14)(H,13,15) |
| InChIKey | InChI | 1.03 | DQHJYYALMHIEAH-UHFFFAOYSA-N |
