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2PV : Summary
Code ![](/pdbe/static/images/help.png)
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2PV
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C10 H9 N3 O S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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219.263 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Nc1ccc(cc1)C=C2SC(=N)NC2=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1C=C2C(=O)NC(=N)S2)N |
Canonical SMILES
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CACTVS |
3.385 |
Nc1ccc(cc1)\C=C/2SC(=N)NC/2=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)N)/S1 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H9N3OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-5H,11H2,(H2,12,13,14)/b8-5+ |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QXOIZYPBCJHYLN-VMPITWQZSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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24 (15 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2013-12-24
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Last modified at ![](/pdbe/static/images/help.png)
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2020-02-12
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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