9AN
Summary
Name: | 2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one |
Formula: | C14 H10 N2 O2 |
Formal charge: | 0 |
Formula weight: | 238.241 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C14H10N2O2/c17-10-5-3-4-9(8-10)13-15-12-7-2-1-6-11(12)14(18)16-13/h1-8,17H,(H,15,16,18) |
InChIKey | InChI | 1.03 | XMXQFRPDUIBGED-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)C2=Nc3ccccc3C(=O)N2 |
SMILES | CACTVS | 3.385 | Oc1cccc(c1)C2=Nc3ccccc3C(=O)N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O |