1XM
Summary
| Name: | 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-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 | 12.01 | 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione |
| OpenEye OEToolkits | 1.7.6 | 4-azanyl-1,7-dihydropyrazolo[3,4-d]pyrimidine-6-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1N=C(c2c(N1)nnc2)N |
| InChI | InChI | 1.03 | InChI=1S/C5H5N5S/c6-3-2-1-7-10-4(2)9-5(11)8-3/h1H,(H4,6,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | YJMNLDSYAAJOPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=S)Nc2[nH]ncc12 |
| SMILES | CACTVS | 3.385 | NC1=NC(=S)Nc2[nH]ncc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2c([nH]n1)NC(=S)N=C2N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c2c([nH]n1)NC(=S)N=C2N |
