J6F
Summary
| Name: | 7-hexyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione |
| Formula: | C12 H18 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 282.362 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-hexyl-3-methyl-8-sulfanylidene-9~{H}-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H18N4O2S/c1-3-4-5-6-7-16-8-9(13-12(16)19)15(2)11(18)14-10(8)17/h3-7H2,1-2H3,(H,13,19)(H,14,17,18) |
| InChIKey | InChI | 1.06 | UXIHCIYDMGYKSF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCN1C(=S)NC2=C1C(=O)NC(=O)N2C |
| SMILES | CACTVS | 3.385 | CCCCCCN1C(=S)NC2=C1C(=O)NC(=O)N2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C |
