28S
Summary
| Name: | 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine |
| Synonyms: | SMER28 |
| Formula: | C11 H10 Br N3 |
| Formal charge: | 0 |
| Formula weight: | 264.121 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine |
| OpenEye OEToolkits | 1.7.6 | 6-bromanyl-N-prop-2-enyl-quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2cc1c(ncnc1NC\C=C)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15) |
| InChIKey | InChI | 1.03 | BCPOLXUSCUFDGE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Brc1ccc2ncnc(NCC=C)c2c1 |
| SMILES | CACTVS | 3.370 | Brc1ccc2ncnc(NCC=C)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=CCNc1c2cc(ccc2ncn1)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=CCNc1c2cc(ccc2ncn1)Br |
