0VV
Summary
| Name: | N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide |
| Formula: | C8 H10 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 226.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide |
| OpenEye OEToolkits | 1.7.6 | (2E)-2-sulfamoylimino-3,4-dihydro-1H-quinazoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(/N=C2/Nc1c(cccc1)CN2)N |
| InChI | InChI | 1.03 | InChI=1S/C8H10N4O2S/c9-15(13,14)12-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H2,9,13,14)(H2,10,11,12) |
| InChIKey | InChI | 1.03 | NQQBFHZTZMKZCO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)N=C1NCc2ccccc2N1 |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)N=C1NCc2ccccc2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CNC(=NS(=O)(=O)N)N2 |
