UIH

6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Created:	2014-01-16
Last modified:	2015-01-21

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1 entries where UIH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	22

2D diagram of UIH

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Chemical Component Summary
Name	6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Formula	C₁₈ H₁₄ Br N₅
Molecular Weight	380.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc4ccc(c2c(c1c(nc(nc1n2)N)N)c3ccccc3)cc4
SMILES	CACTVS	3.385	Nc1nc(N)c2c([nH]c(c3ccc(Br)cc3)c2c4ccccc4)n1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N
Canonical SMILES	CACTVS	3.385	Nc1nc(N)c2c([nH]c(c3ccc(Br)cc3)c2c4ccccc4)n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N
InChI	InChI	1.03	InChI=1S/C18H14BrN5/c19-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(20)23-18(21)24-17(14)22-15/h1-9H,(H5,20,21,22,23,24)
InChIKey	InChI	1.03	BIHWLSDQBFEANX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	86580363
ChEMBL	CHEMBL3318913

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.