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Summary Geometry Related PDB entries

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Summary

Name:	N,N-dimethyl-N'-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
Formula:	C13 H17 N7
Formal charge:	0
Formula weight:	271.321 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,N-dimethyl-N'-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
OpenEye OEToolkits	1.7.6	N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2n1ccc(nc1c(c2)c3cnnc3)NCCN(C)C
InChI	InChI	1.03	InChI=1S/C13H17N7/c1-19(2)6-4-14-12-3-5-20-13(18-12)11(9-17-20)10-7-15-16-8-10/h3,5,7-9H,4,6H2,1-2H3,(H,14,18)(H,15,16)
InChIKey	InChI	1.03	PSIMDRXAPBUVNE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)CCNc1ccn2ncc(c3c[nH]nc3)c2n1
SMILES	CACTVS	3.385	CN(C)CCNc1ccn2ncc(c3c[nH]nc3)c2n1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3
SMILES	OpenEye OEToolkits	1.7.6	CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3

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