AX4
Summary
| Name: | 6-[(4-methylphenyl)sulfanyl]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-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S(c1nc(nc(N)c1)N)c2ccc(cc2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(Sc2cc(N)nc(N)n2)cc1 |
| SMILES | CACTVS | 3.341 | Cc1ccc(Sc2cc(N)nc(N)n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)Sc2cc(nc(n2)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)Sc2cc(nc(n2)N)N |
| InChI | InChI | 1.03 | InChI=1S/C11H12N4S/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H4,12,13,14,15) |
| InChIKey | InChI | 1.03 | HJJXDVNITYURLZ-UHFFFAOYSA-N |
