A1L2M
Summary
| Name: | 4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide |
| Formula: | C25 H28 N8 O |
| Formal charge: | 0 |
| Formula weight: | 456.543 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H28N8O/c1-16(19-9-6-17-4-2-3-5-20(17)14-19)27-22-15-21(31-10-12-32(13-11-31)24(26)34)28-25-29-23(18-7-8-18)30-33(22)25/h2-6,9,14-16,18,27H,7-8,10-13H2,1H3,(H2,26,34)/t16-/m1/s1 |
| InChIKey | InChI | 1.06 | TUOBKNKUSLWHLI-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Nc1cc(nc2nc(nn12)C3CC3)N4CCN(CC4)C(N)=O)c5ccc6ccccc6c5 |
| SMILES | CACTVS | 3.385 | C[CH](Nc1cc(nc2nc(nn12)C3CC3)N4CCN(CC4)C(N)=O)c5ccc6ccccc6c5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccc2ccccc2c1)Nc3cc(nc4n3nc(n4)C5CC5)N6CCN(CC6)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc2ccccc2c1)Nc3cc(nc4n3nc(n4)C5CC5)N6CCN(CC6)C(=O)N |
