DX4
Summary
| Name: | 2-amino-1,9-dihydro-6H-purine-6-thione |
| Formula: | C5 H5 N5 S |
| Formal charge: | 0 |
| Formula weight: | 167.192 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-1,9-dihydro-6H-purine-6-thione |
| OpenEye OEToolkits | 1.5.0 | 2-amino-1,9-dihydropurine-6-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C1c2ncnc2N=C(N1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2[nH]cnc2C(=S)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2[nH]cnc2C(=S)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)C(=S)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)C(=S)NC(=N2)N |
| InChI | InChI | 1.03 | InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | WYWHKKSPHMUBEB-UHFFFAOYSA-N |
