WY7
Summary
| Name: | 3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine |
| Formula: | C13 H10 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 282.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine |
| OpenEye OEToolkits | 2.0.7 | 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c4(CN2C=NC(=C1N=CN=C12)N)cc(c3ccco3)on4 |
| InChI | InChI | 1.03 | InChI=1S/C13H10N6O2/c14-12-11-13(16-6-15-11)19(7-17-12)5-8-4-10(21-18-8)9-2-1-3-20-9/h1-4,6-7H,5,14H2 |
| InChIKey | InChI | 1.03 | VMYKOOSLEPKKOO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncn(Cc2cc(on2)c3occc3)c4ncnc14 |
| SMILES | CACTVS | 3.385 | Nc1ncn(Cc2cc(on2)c3occc3)c4ncnc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)c2cc(no2)Cn3cnc(c-4ncnc34)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)c2cc(no2)Cn3cnc(c-4ncnc34)N |
