W57
Summary
| Name: | 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine |
| Formula: | C10 H10 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 246.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine |
| OpenEye OEToolkits | 2.0.7 | 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3(CN2C=NC(=C1N=CN=C12)N)onc(c3)OC |
| InChI | InChI | 1.03 | InChI=1S/C10H10N6O2/c1-17-7-2-6(18-15-7)3-16-5-14-9(11)8-10(16)13-4-12-8/h2,4-5H,3,11H2,1H3 |
| InChIKey | InChI | 1.03 | QLMLRFCQHHBNLC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Cn2cnc(N)c3ncnc23)on1 |
| SMILES | CACTVS | 3.385 | COc1cc(Cn2cnc(N)c3ncnc23)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(on1)Cn2cnc(c-3ncnc23)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(on1)Cn2cnc(c-3ncnc23)N |
