MY6

2-amino-7-methyl-1,7-dihydro-6H-purin-6-one

Created:	2010-05-12
Last modified:	2011-06-04

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5 entries where MY6 is found as a standalone ligand1 entries where MY6 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	5

2D diagram of MY6

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Chemical Component Summary
Name	2-amino-7-methyl-1,7-dihydro-6H-purin-6-one
Systematic Name (OpenEye OEToolkits)	2-azanyl-7-methyl-1H-purin-6-one
Formula	C₆ H₇ N₅ O
Molecular Weight	165.153
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c2c(N=C(N1)N)ncn2C
SMILES	CACTVS	3.370	Cn1cnc2N=C(N)NC(=O)c12
SMILES	OpenEye OEToolkits	1.7.0	Cn1cnc2c1C(=O)NC(=N2)N
Canonical SMILES	CACTVS	3.370	Cn1cnc2N=C(N)NC(=O)c12
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cn1cnc2c1C(=O)NC(=N2)N
InChI	InChI	1.03	InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
InChIKey	InChI	1.03	FZWGECJQACGGTI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5280502, 135398679, 11361
ChEBI	CHEBI:46897, CHEBI:28664, CHEBI:46894

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