VF6
Summary
| Name: | ~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethyl)pyrimidin-4-yl]phenyl]ethanamide |
| Formula: | C17 H21 N5 O |
| Formal charge: | 0 |
| Formula weight: | 311.382 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethyl)pyrimidin-4-yl]phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H21N5O/c1-10(23)20-13-7-5-12(6-8-13)15-14(9-4-11-2-3-11)16(18)22-17(19)21-15/h5-8,11H,2-4,9H2,1H3,(H,20,23)(H4,18,19,21,22) |
| InChIKey | InChI | 1.06 | SCRAMBGYZMQUJK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)c2nc(N)nc(N)c2CCC3CC3 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)c2nc(N)nc(N)c2CCC3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)c2c(c(nc(n2)N)N)CCC3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)c2c(c(nc(n2)N)N)CCC3CC3 |
