YDI

5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE

Created:	2011-03-21
Last modified:	2011-06-04

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1 entries where YDI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	12

2D diagram of YDI

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Chemical Component Summary
Name	5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	2-(aminocarbonylamino)-5-[4-(2-dimethylaminoethyloxy)phenyl]thiophene-3-carboxamide
Formula	C₁₆ H₂₀ N₄ O₃ S
Molecular Weight	348.42
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1sc(cc1C(=O)N)c2ccc(OCCN(C)C)cc2)N
SMILES	CACTVS	3.370	CN(C)CCOc1ccc(cc1)c2sc(NC(N)=O)c(c2)C(N)=O
SMILES	OpenEye OEToolkits	1.7.0	CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N
Canonical SMILES	CACTVS	3.370	CN(C)CCOc1ccc(cc1)c2sc(NC(N)=O)c(c2)C(N)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N
InChI	InChI	1.03	InChI=1S/C16H20N4O3S/c1-20(2)7-8-23-11-5-3-10(4-6-11)13-9-12(14(17)21)15(24-13)19-16(18)22/h3-6,9H,7-8H2,1-2H3,(H2,17,21)(H3,18,19,22)
InChIKey	InChI	1.03	RFSVVCBVIFWEMZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9902908
ChEMBL	CHEMBL452021

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