OWQ
Summary
| Name: | 3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine |
| Formula: | C20 H20 N8 O |
| Formal charge: | 0 |
| Formula weight: | 388.426 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H20N8O/c1-29-17-4-2-16(3-5-17)28-19-18(25-26-28)12-22-20(24-19)23-14-8-11-27(13-14)15-6-9-21-10-7-15/h2-7,9-10,12,14H,8,11,13H2,1H3,(H,22,23,24)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | GDSSVNNRCKMPPZ-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)n2nnc3cnc(N[C@@H]4CCN(C4)c5ccncc5)nc23 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)n2nnc3cnc(N[CH]4CCN(C4)c5ccncc5)nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)n2c3c(cnc(n3)N[C@@H]4CCN(C4)c5ccncc5)nn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)n2c3c(cnc(n3)NC4CCN(C4)c5ccncc5)nn2 |
