9XT
Summary
| Name: | 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine |
| Formula: | C16 H15 N7 O |
| Formal charge: | 0 |
| Formula weight: | 321.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20) |
| InChIKey | InChI | 1.03 | HQSBCDPYXDGTCL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Cn2nnc3c2nc(N)nc3c4occc4)ccc1N |
| SMILES | CACTVS | 3.385 | Cc1cc(Cn2nnc3c2nc(N)nc3c4occc4)ccc1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1N)Cn2c3c(c(nc(n3)N)c4ccco4)nn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1N)Cn2c3c(c(nc(n3)N)c4ccco4)nn2 |
