RDS
Summary
| Name: | 6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine |
| Formula: | C14 H16 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 309.814 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 6-[(2~{R})-butan-2-yl]oxy-2-(3-chlorophenyl)sulfanyl-pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H16ClN3OS/c1-3-9(2)19-13-8-12(16)17-14(18-13)20-11-6-4-5-10(15)7-11/h4-9H,3H2,1-2H3,(H2,16,17,18)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | YBCXWCRIGXVZRG-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)Oc1cc(N)nc(Sc2cccc(Cl)c2)n1 |
| SMILES | CACTVS | 3.385 | CC[CH](C)Oc1cc(N)nc(Sc2cccc(Cl)c2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC[C@@H](C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCC(C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N |
