ZSA
(2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide
Created: | 2021-05-28 |
Last modified: | 2021-09-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide |
Systematic Name (OpenEye OEToolkits) | 1-[(~{Z})-(3-azanylisoindol-1-ylidene)amino]guanidine |
Formula | C9 H10 N6 |
Molecular Weight | 202.216 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N=C(N)N\N=C1/N=C(N)c2ccccc21 |
SMILES | CACTVS | 3.385 | NC(=N)NN=C1N=C(N)c2ccccc12 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=NC2=NNC(=N)N)N |
Canonical SMILES | CACTVS | 3.385 | NC(=N)N/N=C/1N=C(N)c2ccccc/12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc\2c(c1)C(=N/C2=N\NC(=N)N)N |
InChI | InChI | 1.03 | InChI=1S/C9H10N6/c10-7-5-3-1-2-4-6(5)8(13-7)14-15-9(11)12/h1-4H,(H2,10,13,14)(H4,11,12,15) |
InChIKey | InChI | 1.03 | MMCURALNZRAPHY-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 6228886, 9704629, 6840283 |