20K
Summary
| Name: | 2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine |
| Formula: | C17 H18 Cl N5 S |
| Formal charge: | 0 |
| Formula weight: | 359.876 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine |
| OpenEye OEToolkits | 1.7.2 | 2-chloranyl-N4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N1,N1-dimethyl-benzene-1,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1c(N(C)C)ccc(c1)Nc3nc(c2sc(nc2C)C)ccn3 |
| InChI | InChI | 1.03 | InChI=1S/C17H18ClN5S/c1-10-16(24-11(2)20-10)14-7-8-19-17(22-14)21-12-5-6-15(23(3)4)13(18)9-12/h5-9H,1-4H3,(H,19,21,22) |
| InChIKey | InChI | 1.03 | FUDBRAFSKPGJJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1Cl |
| SMILES | CACTVS | 3.370 | CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)Cl)N(C)C |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)Cl)N(C)C |
