6AP

9H-PURINE-2,6-DIAMINE

Created:	2005-10-10
Last modified:	2020-06-05

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5 entries where 6AP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	10

2D diagram of 6AP

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Chemical Component Summary
Name	9H-PURINE-2,6-DIAMINE
Synonyms	2,6-DIAMINOPURINE
Systematic Name (OpenEye OEToolkits)	9H-purine-2,6-diamine
Formula	C₅ H₆ N₆
Molecular Weight	150.141
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(c2ncnc2nc1N)N
SMILES	CACTVS	3.341	Nc1nc(N)c2nc[nH]c2n1
SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)c(nc(n2)N)N
Canonical SMILES	CACTVS	3.341	Nc1nc(N)c2nc[nH]c2n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)c(nc(n2)N)N
InChI	InChI	1.03	InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
InChIKey	InChI	1.03	MSSXOMSJDRHRMC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	30976
ChEMBL	CHEMBL388596
ChEBI	CHEBI:40235
CCDC/CSD	WUZROZ, DUKPIJ, AYOKUV, DUKPOP, WUZROZ01, VOLTUN, KEPSEH
COD	2017792, 4511265, 4511263, 4511264

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