B55
Summary
| Name: | 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one |
| Synonyms: | 2-amino-8-mercapto-1H-purin-6(9H)-one |
| Formula: | C5 H5 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 183.191 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-8-sulfanyl-1,9-dihydropurin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2nc(S)nc2N=C(N1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2[nH]c(S)nc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2[nH]c(S)nc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c12c([nH]c(n1)S)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c12c([nH]c(n1)S)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12) |
| InChIKey | InChI | 1.03 | JHEKNTQSGTVPAO-UHFFFAOYSA-N |
