M7N

~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Created:	2019-10-04
Last modified:	2019-11-06

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1 entries where M7N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	0
Bond Count	60
Aromatic Bond Count	12

2D diagram of M7N

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Chemical Component Summary
Name	~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide
Formula	C₂₁ H₃₀ N₆ O
Molecular Weight	382.503
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN(CC)Cc1ccc(CNC(=O)N2CCN(CC2)c3ncccn3)cc1
SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3
Canonical SMILES	CACTVS	3.385	CCN(CC)Cc1ccc(CNC(=O)N2CCN(CC2)c3ncccn3)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3
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

Related Resource References

Resource Name	Reference
PubChem	17495098

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