A1BD3
Summary
| Name: | enprofylline |
| Formula: | C8 H10 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.191 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-propyl-3,7-dihydro-1H-purine-2,6-dione |
| OpenEye OEToolkits | 3.1.0.0 | 3-propyl-7~{H}-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NC(=O)N(CCC)c2nc[NH]c21 |
| InChI | InChI | 1.06 | InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) |
| InChIKey | InChI | 1.06 | SIQPXVQCUCHWDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN1C(=O)NC(=O)c2[nH]cnc12 |
| SMILES | CACTVS | 3.385 | CCCN1C(=O)NC(=O)c2[nH]cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCN1c2c([nH]cn2)C(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCN1c2c([nH]cn2)C(=O)NC1=O |
