AV6
Summary
| Name: | 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol |
| Synonyms: | 4-{2,4-DIAZATRICYCLO[7.3.1.0]TRIDECA- 1(12),5,7,9(13),10-PENTAEN-3-YL}BENZENE-1,2-DIOL |
| Formula: | C17 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 278.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N=3c2cccc1cccc(c12)NC=3c4ccc(O)c(O)c4 |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1ccc(cc1O)C2Nc3cccc4cccc(N2)c34 |
| SMILES | CACTVS | 3.352 | Oc1ccc(cc1O)C2Nc3cccc4cccc(N2)c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc2cccc3c2c(c1)NC(N3)c4ccc(c(c4)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc2cccc3c2c(c1)NC(N3)c4ccc(c(c4)O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O2/c20-14-8-7-11(9-15(14)21)17-18-12-5-1-3-10-4-2-6-13(19-17)16(10)12/h1-9,17-21H |
| InChIKey | InChI | 1.03 | RBGFUFBYYJRGBW-UHFFFAOYSA-N |
