UVF
Summary
| Name: | 3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione |
| Formula: | C22 H24 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 404.465 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H24N6O2/c1-2-27-20-19(21(29)25-22(27)30)28(13-15-8-4-3-5-9-15)18(24-20)12-16-14-26-11-7-6-10-17(26)23-16/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,25,29,30) |
| InChIKey | InChI | 1.06 | XFMJUABYLXDYGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4cn5CCCCc5n4)nc12 |
| SMILES | CACTVS | 3.385 | CCN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4cn5CCCCc5n4)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)Cc5ccccc5)C(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)Cc5ccccc5)C(=O)NC1=O |
