LHL

3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

Created:	2009-11-12
Last modified:	2011-06-04

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2 entries where LHL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	0
Bond Count	66
Aromatic Bond Count	18

2D diagram of LHL

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Chemical Component Summary
Name	3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	3-(2,6-dichlorophenyl)-7-[[4-(2-diethylaminoethyloxy)phenyl]amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one
Formula	C₂₅ H₂₈ Cl₂ N₆ O₂
Molecular Weight	515.435
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1
SMILES	OpenEye OEToolkits	1.7.0	CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C
Canonical SMILES	CACTVS	3.352	CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C
InChI	InChI	1.03	InChI=1S/C25H28Cl2N6O2/c1-4-32(5-2)13-14-35-19-11-9-18(10-12-19)29-24-28-15-17-16-33(25(34)31(3)23(17)30-24)22-20(26)7-6-8-21(22)27/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,29,30)
InChIKey	InChI	1.03	LQYPBKQMDVWUGO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1234002
PubChem	22125070
ChEMBL	CHEMBL1234002

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