WSD

6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one

Created:	2014-03-20
Last modified:	2014-05-28

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1 entries where WSD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	0

2D diagram of WSD

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Chemical Component Summary
Name	6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	2-azanyl-6-ethanoyl-7,7-dimethyl-3,8-dihydropteridin-4-one
Formula	C₁₀ H₁₃ N₅ O₂
Molecular Weight	235.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2NC(=NC1=C2N=C(C(=O)C)C(N1)(C)C)N
SMILES	CACTVS	3.385	CC(=O)C1=NC2=C(NC1(C)C)N=C(N)NC2=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N
Canonical SMILES	CACTVS	3.385	CC(=O)C1=NC2=C(NC1(C)C)N=C(N)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N
InChI	InChI	1.03	InChI=1S/C10H13N5O2/c1-4(16)6-10(2,3)15-7-5(12-6)8(17)14-9(11)13-7/h1-3H3,(H4,11,13,14,15,17)
InChIKey	InChI	1.03	WLVJPLIOOQQZAE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135424781, 11651587
ChEMBL	CHEMBL402134

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