DW0
Summary
| Name: | 1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE) |
| Synonyms: | BISDIONIN C 1-[3-(3,7-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL)PROPYL]-3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DION E |
| Formula: | C17 H20 N8 O4 |
| Formal charge: | 0 |
| Formula weight: | 400.392 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,1'-propane-1,3-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) |
| OpenEye OEToolkits | 1.7.0 | 1-[3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1n(cnc1N(C(=O)N2CCCN4C(=O)N(c3ncn(c3C4=O)C)C)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cn1cnc2N(C)C(=O)N(CCCN3C(=O)N(C)c4ncn(C)c4C3=O)C(=O)c12 |
| SMILES | CACTVS | 3.370 | Cn1cnc2N(C)C(=O)N(CCCN3C(=O)N(C)c4ncn(C)c4C3=O)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C |
| InChI | InChI | 1.03 | InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3 |
| InChIKey | InChI | 1.03 | KEPIKAFUZRKZMT-UHFFFAOYSA-N |
