M3J
Summary
| Name: | 6-bromo-N~2~-phenylquinazoline-2,4-diamine |
| Formula: | C14 H11 Br N4 |
| Formal charge: | 0 |
| Formula weight: | 315.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-bromo-N~2~-phenylquinazoline-2,4-diamine |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-~{N}2-phenyl-quinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3cc(Nc2nc1ccc(Br)cc1c(N)n2)ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H11BrN4/c15-9-6-7-12-11(8-9)13(16)19-14(18-12)17-10-4-2-1-3-5-10/h1-8H,(H3,16,17,18,19) |
| InChIKey | InChI | 1.03 | MPGNABXYXOGUGH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(Nc2ccccc2)nc3ccc(Br)cc13 |
| SMILES | CACTVS | 3.385 | Nc1nc(Nc2ccccc2)nc3ccc(Br)cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br |
