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UYS : Summary
Code ![](/pdbe/static/images/help.png)
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UYS
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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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3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide
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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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C16 H17 N7 O
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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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323.352 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c1(c(N(C)C)nc(N)c(n1)C(\N=C(/N)N)=O)C#Cc2ccccc2 |
SMILES
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CACTVS |
3.385 |
CN(C)c1nc(N)c(nc1C#Cc2ccccc2)C(=O)N=C(N)N |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CN(C)c1c(nc(c(n1)N)C(=O)N=C(N)N)C#Cc2ccccc2 |
Canonical SMILES
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CACTVS |
3.385 |
CN(C)c1nc(N)c(nc1C#Cc2ccccc2)C(=O)N=C(N)N |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CN(C)c1c(nc(c(n1)N)C(=O)N=C(N)N)C#Cc2ccccc2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H17N7O/c1-23(2)14-11(9-8-10-6-4-3-5-7-10)20-12(13(17)21-14)15(24)22-16(18)19/h3-7H,1-2H3,(H2,17,21)(H4,18,19,22,24) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RQKKLGFFJIDEHC-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (24 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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2020-06-08
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Last modified at ![](/pdbe/static/images/help.png)
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2020-08-28
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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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