YH7

6-amino-1,9-dihydro-2H-purine-2-thione

Created:	2013-09-05
Last modified:	2014-05-30

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1 entries where YH7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	0

2D diagram of YH7

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Chemical Component Summary
Name	6-amino-1,9-dihydro-2H-purine-2-thione
Systematic Name (OpenEye OEToolkits)	6-azanyl-1,9-dihydropurine-2-thione
Formula	C₅ H₅ N₅ S
Molecular Weight	167.192
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	S=C2N=C1C(N=CN1)=C(N2)N
SMILES	CACTVS	3.370	NC1=C2N=CNC2=NC(=S)N1
SMILES	OpenEye OEToolkits	1.7.6	C1=NC2=C(NC(=S)N=C2N1)N
Canonical SMILES	CACTVS	3.370	NC1=C2N=CNC2=NC(=S)N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1=NC2=C(NC(=S)N=C2N1)N
InChI	InChI	1.03	InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)
InChIKey	InChI	1.03	LQJZZLRZEPKRRQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	77209, 1502011

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