A1BHA
Summary
| Name: | 4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine |
| Formula: | C14 H18 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 302.332 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine |
| OpenEye OEToolkits | 3.1.0.0 | 4-methoxy-2-piperazin-1-yl-6-(pyrimidin-5-yloxymethyl)pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1nc(nc(COc2cncnc2)c1)N1CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C14H18N6O2/c1-21-13-6-11(9-22-12-7-16-10-17-8-12)18-14(19-13)20-4-2-15-3-5-20/h6-8,10,15H,2-5,9H2,1H3 |
| InChIKey | InChI | 1.06 | QKQGGPZKCCADEL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(COc2cncnc2)nc(n1)N3CCNCC3 |
| SMILES | CACTVS | 3.385 | COc1cc(COc2cncnc2)nc(n1)N3CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cc(nc(n1)N2CCNCC2)COc3cncnc3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cc(nc(n1)N2CCNCC2)COc3cncnc3 |
