RR9
Summary
| Name: | 6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one |
| Formula: | C23 H28 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 448.521 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H28N8O2/c1-4-15(12-32)28-23-29-20(19-21(30-23)31(13-26-19)14(2)3)25-11-16-8-9-17(22(33)27-16)18-7-5-6-10-24-18/h5-10,13-15,32H,4,11-12H2,1-3H3,(H,27,33)(H2,25,28,29,30)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | ZZMGLCCXIBNSGN-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](CO)Nc1nc(NCC2=CC=C(C(=O)N2)c3ccccn3)c4ncn(C(C)C)c4n1 |
| SMILES | CACTVS | 3.385 | CC[CH](CO)Nc1nc(NCC2=CC=C(C(=O)N2)c3ccccn3)c4ncn(C(C)C)c4n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCC3=CC=C(C(=O)N3)c4ccccn4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCC3=CC=C(C(=O)N3)c4ccccn4 |
