B60

2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one

Created:	2009-04-23
Last modified:	2011-06-04

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1 entries where B60 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	0

2D diagram of B60

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Chemical Component Summary
Name	2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	2-amino-8-methyl-3,7-dihydropteridin-4-one
Formula	C₇ H₉ N₅ O
Molecular Weight	179.179
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C=2N=CCN(C=2N=C(N1)N)C
SMILES	CACTVS	3.341	CN1CC=NC2=C1N=C(N)NC2=O
SMILES	OpenEye OEToolkits	1.5.0	CN1CC=NC2=C1N=C(NC2=O)N
Canonical SMILES	CACTVS	3.341	CN1CC=NC2=C1N=C(N)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN1CC=NC2=C1N=C(NC2=O)N
InChI	InChI	1.03	InChI=1S/C7H9N5O/c1-12-3-2-9-4-5(12)10-7(8)11-6(4)13/h2H,3H2,1H3,(H3,8,10,11,13)
InChIKey	InChI	1.03	NJYUAWHEKRBMQB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	325857, 135454624
ChEMBL	CHEMBL577755

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