1MV

({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)

Created:	2013-04-02
Last modified:	2014-01-01

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2 entries where 1MV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	16

2D diagram of 1MV

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Chemical Component Summary
Name	({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)
Systematic Name (OpenEye OEToolkits)	[[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-phosphono-methyl]phosphonic acid
Formula	C₁₄ H₁₅ N₃ O₆ P₂ S
Molecular Weight	415.298
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)C(Nc1ncnc2sc(cc12)c3ccc(cc3)C)P(=O)(O)O
SMILES	CACTVS	3.370	Cc1ccc(cc1)c2sc3ncnc(NC([P](O)(O)=O)[P](O)(O)=O)c3c2
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O
Canonical SMILES	CACTVS	3.370	Cc1ccc(cc1)c2sc3ncnc(NC([P](O)(O)=O)[P](O)(O)=O)c3c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C14H15N3O6P2S/c1-8-2-4-9(5-3-8)11-6-10-12(15-7-16-13(10)26-11)17-14(24(18,19)20)25(21,22)23/h2-7,14H,1H3,(H,15,16,17)(H2,18,19,20)(H2,21,22,23)
InChIKey	InChI	1.03	SFWLGYOMOJOLFV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2347862
PubChem	71583208
ChEMBL	CHEMBL2347862

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