AC2
Summary
| Name: | 9-HYROXYETHOXYMETHYLGUANINE |
| Formula: | C8 H11 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 225.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(N1)N)COCCO |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(COCCO)cnc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(COCCO)cnc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1COCCO)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1COCCO)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15) |
| InChIKey | InChI | 1.03 | MKUXAQIIEYXACX-UHFFFAOYSA-N |
