A1IBK

2-azanyl-8-methyl-3,7-dihydropurine-6-thione

Created:	2024-05-14
Last modified:	2025-05-21

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1 entries where A1IBK 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 A1IBK

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Chemical Component Summary
Name	2-azanyl-8-methyl-3,7-dihydropurine-6-thione
Systematic Name (OpenEye OEToolkits)	2-azanyl-8-methyl-3,7-dihydropurine-6-thione
Formula	C₆ H₇ N₅ S
Molecular Weight	181.218
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1[nH]c2C(=S)N=C(N)Nc2n1
SMILES	OpenEye OEToolkits	2.0.7	Cc1[nH]c2c(n1)NC(=NC2=S)N
Canonical SMILES	CACTVS	3.385	Cc1[nH]c2C(=S)N=C(N)Nc2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1[nH]c2c(n1)NC(=NC2=S)N
InChI	InChI	1.06	InChI=1S/C6H7N5S/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	VFPBXHBKDUKYRE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3560854

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