PXZ
2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 36 |
Chiral Atom Count | 0 |
Bond Count | 38 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
---|---|
Name | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE |
Synonyms | PHENOXAZINE |
Systematic Name (OpenEye OEToolkits) | 2-azanyl-4,6-dimethyl-3-oxidanylidene-phenoxazine-1,9-dicarboxylic acid |
Formula | C16 H12 N2 O6 |
Molecular Weight | 328.276 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C |
SMILES | CACTVS | 3.385 | Cc1ccc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | Cc1ccc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23) |
InChIKey | InChI | 1.06 | KXRMREPJUITWDU-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 96175 |