A1LXN

2-azanyl-8-methyl-1,9-dihydropurin-6-one

Created:	2024-02-03
Last modified:	2024-07-24

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1 entries where A1LXN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	5

2D diagram of A1LXN

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Chemical Component Summary
Name	2-azanyl-8-methyl-1,9-dihydropurin-6-one
Systematic Name (OpenEye OEToolkits)	2-azanyl-8-methyl-1,9-dihydropurin-6-one
Formula	C₆ H₇ N₅ O
Molecular Weight	165.153
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1[nH]c2N=C(N)NC(=O)c2n1
SMILES	OpenEye OEToolkits	2.0.7	Cc1[nH]c2c(n1)C(=O)NC(=N2)N
Canonical SMILES	CACTVS	3.385	Cc1[nH]c2N=C(N)NC(=O)c2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1[nH]c2c(n1)C(=O)NC(=N2)N
InChI	InChI	1.06	InChI=1S/C6H7N5O/c1-2-8-3-4(9-2)10-6(7)11-5(3)12/h1H3,(H4,7,8,9,10,11,12)
InChIKey	InChI	1.06	DJGMEMUXTWZGIC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135421882, 95188
ChEMBL	CHEMBL3233216

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