DVF
Summary
| Name: | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula: | C22 H23 N5 |
| Formal charge: | 0 |
| Formula weight: | 357.452 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H23N5/c1-15(2)17-9-4-5-10-18(17)21-25-19-11-13-27(3)20(19)22(26-21)24-14-16-8-6-7-12-23-16/h4-13,15H,14H2,1-3H3,(H,24,25,26) |
| InChIKey | InChI | 1.06 | XIEZMAUGHWKZDR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccccc1c2nc(NCc3ccccn3)c4n(C)ccc4n2 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccccc1c2nc(NCc3ccccn3)c4n(C)ccc4n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccccc1c2nc3ccn(c3c(n2)NCc4ccccn4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccccc1c2nc3ccn(c3c(n2)NCc4ccccn4)C |
