OLO
Summary
| Name: | OLOMOUCINE |
| Formula: | C15 H18 N6 O |
| Formal charge: | 0 |
| Formula weight: | 298.343 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethanol |
| OpenEye OEToolkits | 1.5.0 | 2-[[9-methyl-6-(phenylmethylamino)purin-2-yl]amino]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1c(ncn1C)c(nc2NCCO)NCc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 |
| SMILES | CACTVS | 3.341 | Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO |
| InChI | InChI | 1.03 | InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20) |
| InChIKey | InChI | 1.03 | GTVPOLSIJWJJNY-UHFFFAOYSA-N |
