DX6

2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

Created:	2007-12-17
Last modified:	2011-06-04

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1 entries where DX6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	11

2D diagram of DX6

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Chemical Component Summary
Name	2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)	2-amino-5-phenethyl-3,7-dihydropyrrolo[3,2-e]pyrimidin-4-one
Formula	C₁₄ H₁₄ N₄ O
Molecular Weight	254.287
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c2c(cnc2N=C(N1)N)CCc3ccccc3
SMILES	CACTVS	3.341	NC1=Nc2[nH]cc(CCc3ccccc3)c2C(=O)N1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N
Canonical SMILES	CACTVS	3.341	NC1=Nc2[nH]cc(CCc3ccccc3)c2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N
InChI	InChI	1.03	InChI=1S/C14H14N4O/c15-14-17-12-11(13(19)18-14)10(8-16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,15,16,17,18,19)
InChIKey	InChI	1.03	GPZHVIFHNQJWLA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11736910, 135531129
ChEMBL	CHEMBL567351

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