IQR
Summary
| Name: | 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol |
| Formula: | C17 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 292.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H16N4O/c1-17(2,22)7-5-11-3-4-14-12(9-11)13(10-20-14)15-6-8-19-16(18)21-15/h3-4,6,8-10,20,22H,1-2H3,(H2,18,19,21) |
| InChIKey | InChI | 1.06 | YYAZUVAPGBAUDQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)C#Cc1ccc2[nH]cc(c3ccnc(N)n3)c2c1 |
| SMILES | CACTVS | 3.385 | CC(C)(O)C#Cc1ccc2[nH]cc(c3ccnc(N)n3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3ccnc(n3)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3ccnc(n3)N)O |
