63L
Summary
| Name: | 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide |
| Synonyms: | 5-Amino-3-methylsulfanyl-pyrazole-1,4-dicarboxylicacid diamide |
| Formula: | C6 H9 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 215.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide |
| OpenEye OEToolkits | 2.0.4 | 5-azanyl-3-methylsulfanyl-pyrazole-1,4-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(c(n(C(N)=O)nc1SC)N)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H9N5O2S/c1-14-5-2(4(8)12)3(7)11(10-5)6(9)13/h7H2,1H3,(H2,8,12)(H2,9,13) |
| InChIKey | InChI | 1.03 | TUVCBRIDRHWVLF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1nn(C(N)=O)c(N)c1C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1nn(C(N)=O)c(N)c1C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CSc1c(c(n(n1)C(=O)N)N)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CSc1c(c(n(n1)C(=O)N)N)C(=O)N |
