H6W
Summary
| Name: | ~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine |
| Formula: | C18 H21 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 339.392 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21N5O2/c1-22(2)8-3-7-19-17-6-9-23-18(21-17)14(11-20-23)13-4-5-15-16(10-13)25-12-24-15/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,19,21) |
| InChIKey | InChI | 1.03 | DQYRQFLRDJTHQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCNc1ccn2ncc(c3ccc4OCOc4c3)c2n1 |
| SMILES | CACTVS | 3.385 | CN(C)CCCNc1ccn2ncc(c3ccc4OCOc4c3)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4 |
