AX5

6-(benzylsulfanyl)pyrimidine-2,4-diamine

Created:	2007-12-20
Last modified:	2011-06-04

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1 entries where AX5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of AX5

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Chemical Component Summary
Name	6-(benzylsulfanyl)pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	6-benzylsulfanylpyrimidine-2,4-diamine
Formula	C₁₁ H₁₂ N₄ S
Molecular Weight	232.305
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	S(c1nc(nc(N)c1)N)Cc2ccccc2
SMILES	CACTVS	3.341	Nc1cc(SCc2ccccc2)nc(N)n1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CSc2cc(nc(n2)N)N
Canonical SMILES	CACTVS	3.341	Nc1cc(SCc2ccccc2)nc(N)n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CSc2cc(nc(n2)N)N
InChI	InChI	1.03	InChI=1S/C11H12N4S/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)
InChIKey	InChI	1.03	ATPMWVFWJFZLJM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	235894
ChEMBL	CHEMBL566948

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