75X
Summary
| Name: | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol |
| Formula: | C19 H23 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 353.418 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol |
| OpenEye OEToolkits | 1.7.6 | 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(OCC1CCCCC1)c4c(nc2N)nc(c3cccc(O)c3C)n4 |
| InChI | InChI | 1.03 | InChI=1S/C19H23N5O2/c1-11-13(8-5-9-14(11)25)16-21-15-17(22-16)23-19(20)24-18(15)26-10-12-6-3-2-4-7-12/h5,8-9,12,25H,2-4,6-7,10H2,1H3,(H3,20,21,22,23,24) |
| InChIKey | InChI | 1.03 | GTQOUNMUULYWFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(O)cccc1c2[nH]c3c(OCC4CCCCC4)nc(N)nc3n2 |
| SMILES | CACTVS | 3.385 | Cc1c(O)cccc1c2[nH]c3c(OCC4CCCCC4)nc(N)nc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(cccc1O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(cccc1O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N |
