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Summary Geometry Related PDB entries

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Summary

Name:	N-phenyl-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine
Formula:	C19 H15 N5
Formal charge:	0
Formula weight:	313.356 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-phenyl-4-(3-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine
OpenEye OEToolkits	1.9.2	N-phenyl-4-(3-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c(c1ccccc1)c(cn2)c3nc(ncc3)Nc4ccccc4
InChI	InChI	1.03	InChI=1S/C19H15N5/c1-3-7-14(8-4-1)18-16(13-21-24-18)17-11-12-20-19(23-17)22-15-9-5-2-6-10-15/h1-13H,(H,21,24)(H,20,22,23)
InChIKey	InChI	1.03	GHIDSWLDHRXNQM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[nH]1cc(c2ccnc(Nc3ccccc3)n2)c(n1)c4ccccc4
SMILES	CACTVS	3.385	[nH]1cc(c2ccnc(Nc3ccccc3)n2)c(n1)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4

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