Z25

3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid

Created:	2012-01-20
Last modified:	2012-01-20

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1 entries where Z25 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	0

2D diagram of Z25

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Chemical Component Summary
Name	3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-[7-azanyl-4,5-bis(oxidanylidene)-1,6-dihydropyrimido[4,5-c]pyridazin-3-yl]propanoic acid
Formula	C₉ H₉ N₅ O₄
Molecular Weight	251.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCC1=NNC=2N=C(NC(=O)C=2C1=O)N
SMILES	CACTVS	3.370	NC1=NC2=C(C(=O)N1)C(=O)C(=NN2)CCC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N
Canonical SMILES	CACTVS	3.370	NC1=NC2=C(C(=O)N1)C(=O)C(=NN2)CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N
InChI	InChI	1.03	InChI=1S/C9H9N5O4/c10-9-11-7-5(8(18)12-9)6(17)3(13-14-7)1-2-4(15)16/h1-2H2,(H,15,16)(H4,10,11,12,14,17,18)
InChIKey	InChI	1.03	CGUTUVAIFLDCOT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56851702, 135566693

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