AX5
Summary
| Name: | 6-(benzylsulfanyl)pyrimidine-2,4-diamine |
| Formula: | C11 H12 N4 S |
| Formal charge: | 0 |
| Formula weight: | 232.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-(benzylsulfanyl)pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 6-benzylsulfanylpyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S(c1nc(nc(N)c1)N)Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1cc(SCc2ccccc2)nc(N)n1 |
| SMILES | CACTVS | 3.341 | Nc1cc(SCc2ccccc2)nc(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CSc2cc(nc(n2)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CSc2cc(nc(n2)N)N |
| InChI | InChI | 1.03 | InChI=1S/C11H12N4S/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15) |
| InChIKey | InChI | 1.03 | ATPMWVFWJFZLJM-UHFFFAOYSA-N |
