2KA

2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

Created:	2013-11-14
Last modified:	2013-12-25

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1 entries where 2KA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	5

2D diagram of 2KA

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Chemical Component Summary
Name	2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-azanyl-4-oxidanylidene-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxylic acid
Formula	C₇ H₆ N₄ O₃
Molecular Weight	194.148
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1cnc2N=C(N)NC(=O)c12
SMILES	CACTVS	3.385	NC1=Nc2[nH]cc(C(O)=O)c2C(=O)N1
SMILES	OpenEye OEToolkits	1.7.6	c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O
Canonical SMILES	CACTVS	3.385	NC1=Nc2[nH]cc(C(O)=O)c2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)
InChIKey	InChI	1.03	XIUIRSLBMMTDSK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566892, 13344694
ChEBI	CHEBI:61125

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