DX8

2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

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

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1 entries where DX8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of DX8

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Chemical Component Summary
Name	2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Systematic Name (OpenEye OEToolkits)	2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[5,4-d]pyrimidine-5-carbonitrile
Formula	C₁₄ H₁₁ N₅ O₂
Molecular Weight	281.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N#Cc1c(nc2N=C(NC(=O)c12)N)c3ccc(OC)cc3
SMILES	CACTVS	3.341	COc1ccc(cc1)c2[nH]c3N=C(N)NC(=O)c3c2C#N
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N
Canonical SMILES	CACTVS	3.341	COc1ccc(cc1)c2[nH]c3N=C(N)NC(=O)c3c2C#N
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N
InChI	InChI	1.03	InChI=1S/C14H11N5O2/c1-21-8-4-2-7(3-5-8)11-9(6-15)10-12(17-11)18-14(16)19-13(10)20/h2-5H,1H3,(H4,16,17,18,19,20)
InChIKey	InChI	1.03	XIQVXNJSPIMGQQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566499, 25113142
ChEMBL	CHEMBL577934

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