UAN

9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE

Created:	2016-01-06
Last modified:	2016-07-20

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1 entries where UAN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	5

2D diagram of UAN

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Chemical Component Summary
Name	9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE
Systematic Name (OpenEye OEToolkits)	9-methyl-2-(methylamino)-1H-purin-6-one
Formula	C₇ H₉ N₅ O
Molecular Weight	179.179
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC1=Nc2n(C)cnc2C(=O)N1
SMILES	OpenEye OEToolkits	1.7.6	CNC1=Nc2c(ncn2C)C(=O)N1
Canonical SMILES	CACTVS	3.385	CNC1=Nc2n(C)cnc2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CNC1=Nc2c(ncn2C)C(=O)N1
InChI	InChI	1.03	InChI=1S/C7H9N5O/c1-8-7-10-5-4(6(13)11-7)9-3-12(5)2/h3H,1-2H3,(H2,8,10,11,13)
InChIKey	InChI	1.03	VUUPVSDSPZJFFN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	123950, 135479018

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