4Y1
Summary
| Name: | 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine |
| Formula: | C18 H20 Cl N5 O S |
| Formal charge: | 0 |
| Formula weight: | 389.902 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.9.2 | 6-chloranyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(nc(nc(Cl)c1C)OCCc2ncccc2)NCc3c(nc(C)s3)C |
| InChI | InChI | 1.03 | InChI=1S/C18H20ClN5OS/c1-11-16(19)23-18(25-9-7-14-6-4-5-8-20-14)24-17(11)21-10-15-12(2)22-13(3)26-15/h4-6,8H,7,9-10H2,1-3H3,(H,21,23,24) |
| InChIKey | InChI | 1.03 | SAFPHTULZQIFPO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(CNc2nc(OCCc3ccccn3)nc(Cl)c2C)c(C)n1 |
| SMILES | CACTVS | 3.385 | Cc1sc(CNc2nc(OCCc3ccccn3)nc(Cl)c2C)c(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(nc(nc1Cl)OCCc2ccccn2)NCc3c(nc(s3)C)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(nc(nc1Cl)OCCc2ccccn2)NCc3c(nc(s3)C)C |
