A1JGG
Summary
| Name: | [1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-1,2,4-triazol-3-yl]methanimine |
| Formula: | C9 H7 N7 S2 |
| Formal charge: | 0 |
| Formula weight: | 277.329 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-1,2,4-triazol-3-yl]methanimine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H7N7S2/c1-17-9-14-7-6(18-9)8(12-3-11-7)16-4-13-5(2-10)15-16/h2-4,10H,1H3/b10-2- |
| InChIKey | InChI | 1.06 | XKPVMXACNRMMTL-SGAXSIHGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1sc2c(ncnc2n3cnc(C=N)n3)n1 |
| SMILES | CACTVS | 3.385 | CSc1sc2c(ncnc2n3cnc(C=N)n3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\c1ncn(n1)c2c3c(ncn2)nc(s3)SC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1nc2c(s1)c(ncn2)n3cnc(n3)C=N |
