YH7
Summary
| Name: | 6-amino-1,9-dihydro-2H-purine-2-thione |
| Formula: | C5 H5 N5 S |
| Formal charge: | 0 |
| Formula weight: | 167.192 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-1,9-dihydro-2H-purine-2-thione |
| OpenEye OEToolkits | 1.7.6 | 6-azanyl-1,9-dihydropurine-2-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C2N=C1C(N=CN1)=C(N2)N |
| InChI | InChI | 1.03 | InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | LQJZZLRZEPKRRQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=C2N=CNC2=NC(=S)N1 |
| SMILES | CACTVS | 3.370 | NC1=C2N=CNC2=NC(=S)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=NC2=C(NC(=S)N=C2N1)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=NC2=C(NC(=S)N=C2N1)N |
