L3N
Summary
Name: | 1~{H}-quinazoline-2,4-dione |
Formula: | C8 H6 N2 O2 |
Formal charge: | 0 |
Formula weight: | 162.145 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 1~{H}-quinazoline-2,4-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) |
InChIKey | InChI | 1.06 | SDQJTWBNWQABLE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)c2ccccc2N1 |
SMILES | CACTVS | 3.385 | O=C1NC(=O)c2ccccc2N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)NC(=O)N2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)NC(=O)N2 |