AX6
Summary
| Name: | 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine |
| Formula: | C12 H14 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 262.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S(c1nc(nc(N)c1)N)Cc2ccc(OC)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(CSc2cc(N)nc(N)n2)cc1 |
| SMILES | CACTVS | 3.341 | COc1ccc(CSc2cc(N)nc(N)n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)CSc2cc(nc(n2)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)CSc2cc(nc(n2)N)N |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4OS/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16) |
| InChIKey | InChI | 1.03 | SMBANLHZRGNZKV-UHFFFAOYSA-N |
