C50

1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

Created:	2009-08-17
Last modified:	2011-06-04

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1 entries where C50 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	6

2D diagram of C50

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Chemical Component Summary
Name	1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Formula	C₁₄ H₁₉ Cl₂ N₅ O₂
Molecular Weight	360.239
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc2cccc(OCCCON1C(=NC(=NC1(C)C)N)N)c2Cl
SMILES	CACTVS	3.370	CC1(C)N=C(N)N=C(N)N1OCCCOc2cccc(Cl)c2Cl
SMILES	OpenEye OEToolkits	1.7.0	CC1(N=C(N=C(N1OCCCOc2cccc(c2Cl)Cl)N)N)C
Canonical SMILES	CACTVS	3.370	CC1(C)N=C(N)N=C(N)N1OCCCOc2cccc(Cl)c2Cl
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC1(N=C(N=C(N1OCCCOc2cccc(c2Cl)Cl)N)N)C
InChI	InChI	1.03	InChI=1S/C14H19Cl2N5O2/c1-14(2)20-12(17)19-13(18)21(14)23-8-4-7-22-10-6-3-5-9(15)11(10)16/h3,5-6H,4,7-8H2,1-2H3,(H4,17,18,19,20)
InChIKey	InChI	1.03	ZEXYNHJGHHPEOL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46829298

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