A9Q
Summary
| Name: | 3-(2,5-Dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1H)-one |
| Formula: | C18 H21 N3 O7 S |
| Formal charge: | 0 |
| Formula weight: | 423.44 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [3-[(2,5-dimethoxyphenyl)methyl]-6-methoxy-2-oxidanylidene-1,4-dihydroquinazolin-7-yl] sulfamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21N3O7S/c1-25-13-4-5-15(26-2)12(6-13)10-21-9-11-7-16(27-3)17(28-29(19,23)24)8-14(11)20-18(21)22/h4-8H,9-10H2,1-3H3,(H,20,22)(H2,19,23,24) |
| InChIKey | InChI | 1.03 | WJGQGBUMUIXTOY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(OC)c(CN2Cc3cc(OC)c(O[S](N)(=O)=O)cc3NC2=O)c1 |
| SMILES | CACTVS | 3.385 | COc1ccc(OC)c(CN2Cc3cc(OC)c(O[S](N)(=O)=O)cc3NC2=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(c(c1)CN2Cc3cc(c(cc3NC2=O)OS(=O)(=O)N)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(c(c1)CN2Cc3cc(c(cc3NC2=O)OS(=O)(=O)N)OC)OC |
