TKO
Summary
| Name: | (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine |
| Formula: | C12 H8 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 290.115 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-4-(furan-2-yl)quinazolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc2c(nc(N)nc2cc1)c1ccco1 |
| InChI | InChI | 1.06 | InChI=1S/C12H8BrN3O/c13-7-3-4-9-8(6-7)11(16-12(14)15-9)10-2-1-5-17-10/h1-6H,(H2,14,15,16) |
| InChIKey | InChI | 1.06 | XDIROSBRBKJBMH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc2ccc(Br)cc2c(n1)c3occc3 |
| SMILES | CACTVS | 3.385 | Nc1nc2ccc(Br)cc2c(n1)c3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)c2c3cc(ccc3nc(n2)N)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)c2c3cc(ccc3nc(n2)N)Br |
