FX6
Summary
| Name: | (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid |
| Formula: | C9 H11 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 253.281 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[(6-azanyl-9~{H}-purin-8-yl)sulfanyl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11N5O2S/c1-2-4(8(15)16)17-9-13-5-6(10)11-3-12-7(5)14-9/h3-4H,2H2,1H3,(H,15,16)(H3,10,11,12,13,14)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | USXGXECUDHKQHW-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](Sc1[nH]c2ncnc(N)c2n1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](Sc1[nH]c2ncnc(N)c2n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N |
