25U
Summary
| Name: | 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine |
| Formula: | C19 H18 N6 |
| Formal charge: | 0 |
| Formula weight: | 330.386 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.7.6 | 6-ethyl-5-[3-(3-pyrimidin-5-ylphenyl)prop-1-ynyl]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c(c(C#CCc2cccc(c1cncnc1)c2)c(nc3N)N)CC |
| InChI | InChI | 1.03 | InChI=1S/C19H18N6/c1-2-17-16(18(20)25-19(21)24-17)8-4-6-13-5-3-7-14(9-13)15-10-22-12-23-11-15/h3,5,7,9-12H,2,6H2,1H3,(H4,20,21,24,25) |
| InChIKey | InChI | 1.03 | UEZKDWYIIOOENX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#CCc2cccc(c2)c3cncnc3 |
| SMILES | CACTVS | 3.370 | CCc1nc(N)nc(N)c1C#CCc2cccc(c2)c3cncnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3 |
