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Summary Geometry Related PDB entries

M7N

Summary

Name:	~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide
Formula:	C21 H30 N6 O
Formal charge:	0
Formula weight:	382.503 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C21H30N6O/c1-3-25(4-2)17-19-8-6-18(7-9-19)16-24-21(28)27-14-12-26(13-15-27)20-22-10-5-11-23-20/h5-11H,3-4,12-17H2,1-2H3,(H,24,28)
InChIKey	InChI	1.03	BZUHDDVBSAICQG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCN(CC)Cc1ccc(CNC(=O)N2CCN(CC2)c3ncccn3)cc1
SMILES	CACTVS	3.385	CCN(CC)Cc1ccc(CNC(=O)N2CCN(CC2)c3ncccn3)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3
SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3

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