2A6
Summary
| Name: | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE |
| Formula: | C18 H21 N5 O |
| Formal charge: | 0 |
| Formula weight: | 323.392 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine |
| OpenEye OEToolkits | 1.5.0 | 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c(OCC1CCCCC1)c4c(nc2Nc3ccccc3)ncn4 |
| SMILES_CANONICAL | CACTVS | 3.341 | C1CCC(CC1)COc2nc(Nc3ccccc3)nc4nc[nH]c24 |
| SMILES | CACTVS | 3.341 | C1CCC(CC1)COc2nc(Nc3ccccc3)nc4nc[nH]c24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 |
| InChI | InChI | 1.03 | InChI=1S/C18H21N5O/c1-3-7-13(8-4-1)11-24-17-15-16(20-12-19-15)22-18(23-17)21-14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21,22,23) |
| InChIKey | InChI | 1.03 | XWWRLKIBRPJQJX-UHFFFAOYSA-N |
