OG7

2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid

Created:	2019-06-24
Last modified:	2019-10-02

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1 entries where OG7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	17

2D diagram of OG7

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Chemical Component Summary
Name	2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid
Systematic Name (OpenEye OEToolkits)	2-[[4-[(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]carbonylamino]benzoic acid
Formula	C₂₁ H₁₇ N₅ O₄
Molecular Weight	403.391
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(ccc1C(Nc2ccccc2C(=O)O)=O)Cc4c3c(NC(=NC3=O)N)nc4
SMILES	CACTVS	3.385	NC1=NC(=O)c2c(Cc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)c[nH]c2N1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N
Canonical SMILES	CACTVS	3.385	NC1=NC(=O)c2c(Cc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)c[nH]c2N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N
InChI	InChI	1.03	InChI=1S/C21H17N5O4/c22-21-25-17-16(19(28)26-21)13(10-23-17)9-11-5-7-12(8-6-11)18(27)24-15-4-2-1-3-14(15)20(29)30/h1-8,10H,9H2,(H,24,27)(H,29,30)(H4,22,23,25,26,28)
InChIKey	InChI	1.03	NQGAZNWSUPTLIO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	139207784

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