8DB
6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione
Created: | 2021-10-08 |
Last modified: | 2022-08-22 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 0 |
Bond Count | 29 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione |
Systematic Name (OpenEye OEToolkits) | 6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione |
Formula | C13 H8 N2 O3 S |
Molecular Weight | 272.279 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=C1N=NC(=O)c2cc(OCc3sccc3)ccc12 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)COc2ccc3c(c2)C(=O)N=NC3=O |
Canonical SMILES | CACTVS | 3.385 | O=C1N=NC(=O)c2cc(OCc3sccc3)ccc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)COc2ccc3c(c2)C(=O)N=NC3=O |
InChI | InChI | 1.06 | InChI=1S/C13H8N2O3S/c16-12-10-4-3-8(6-11(10)13(17)15-14-12)18-7-9-2-1-5-19-9/h1-6H,7H2 |
InChIKey | InChI | 1.06 | YWHUYRIBEINGLH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 163203941 |