KLO
Summary
| Name: | 5-(phenylmethyl)pyrimidine-2,4-diol |
| Formula: | C11 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 202.209 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(phenylmethyl)pyrimidine-2,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H10N2O2/c14-10-9(7-12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15) |
| InChIKey | InChI | 1.06 | RPZOVLGFKOOIRP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ncc(Cc2ccccc2)c(O)n1 |
| SMILES | CACTVS | 3.385 | Oc1ncc(Cc2ccccc2)c(O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2cnc(nc2O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2cnc(nc2O)O |
