7PS
Summary
| Name: | 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide |
| Formula: | C8 H10 N6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 254.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide |
| OpenEye OEToolkits | 2.0.6 | 2-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanyl]-~{N}-methyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21c(nc(SCC(=O)NC)n1)N=C(N)NC2=O |
| InChI | InChI | 1.03 | InChI=1S/C8H10N6O2S/c1-10-3(15)2-17-8-11-4-5(13-8)12-7(9)14-6(4)16/h2H2,1H3,(H,10,15)(H4,9,11,12,13,14,16) |
| InChIKey | InChI | 1.03 | MKEVUZQIEYSSFO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CSc1[nH]c2N=C(N)NC(=O)c2n1 |
| SMILES | CACTVS | 3.385 | CNC(=O)CSc1[nH]c2N=C(N)NC(=O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNC(=O)CSc1[nH]c2c(n1)C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC(=O)CSc1[nH]c2c(n1)C(=O)NC(=N2)N |
