6O3

{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid

Created:	2016-05-12
Last modified:	2017-03-15

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1 entries where 6O3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	16

2D diagram of 6O3

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Chemical Component Summary
Name	{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid
Systematic Name (OpenEye OEToolkits)	[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methylphosphonic acid
Formula	C₁₄ H₁₃ N₂ O₃ P S
Molecular Weight	320.303
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(Cc2c1c(ncnc1)sc2c3ccc(C)cc3)(O)O
SMILES	CACTVS	3.385	Cc1ccc(cc1)c2sc3ncncc3c2C[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.4	Cc1ccc(cc1)c2c(c3cncnc3s2)CP(=O)(O)O
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1)c2sc3ncncc3c2C[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1ccc(cc1)c2c(c3cncnc3s2)CP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C14H13N2O3PS/c1-9-2-4-10(5-3-9)13-12(7-20(17,18)19)11-6-15-8-16-14(11)21-13/h2-6,8H,7H2,1H3,(H2,17,18,19)
InChIKey	InChI	1.03	YOCFRXSVLBRCJU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	124220688
ChEMBL	CHEMBL4093973

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