DX7

2-amino-4-oxo-6-phenyl-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 DX7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of DX7

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Chemical Component Summary
Name	2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Systematic Name (OpenEye OEToolkits)	2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[5,4-d]pyrimidine-5-carbonitrile
Formula	C₁₃ H₉ N₅ O
Molecular Weight	251.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N#Cc1c(nc2N=C(NC(=O)c12)N)c3ccccc3
SMILES	CACTVS	3.341	NC1=Nc2[nH]c(c3ccccc3)c(C#N)c2C(=O)N1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N
Canonical SMILES	CACTVS	3.341	NC1=Nc2[nH]c(c3ccccc3)c(C#N)c2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N
InChI	InChI	1.03	InChI=1S/C13H9N5O/c14-6-8-9-11(17-13(15)18-12(9)19)16-10(8)7-4-2-1-3-5-7/h1-5H,(H4,15,16,17,18,19)
InChIKey	InChI	1.03	VQYNAWQVXOOXHS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566498, 25113141
ChEMBL	CHEMBL578160

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.