B2L
Summary
| Name: | 4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine |
| Formula: | C17 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 277.321 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(cc(nc1N)c2ccc4c3c2cccc3COC4)C |
| InChI | InChI | 1.03 | InChI=1S/C17H15N3O/c1-10-7-15(20-17(18)19-10)13-6-5-12-9-21-8-11-3-2-4-14(13)16(11)12/h2-7H,8-9H2,1H3,(H2,18,19,20) |
| InChIKey | InChI | 1.03 | RUGFWNOTXBMCJB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(nc(N)n1)c2ccc3COCc4cccc2c34 |
| SMILES | CACTVS | 3.370 | Cc1cc(nc(N)n1)c2ccc3COCc4cccc2c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3 |
