44W

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

Created:	2015-02-05
Last modified:	2016-02-24

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1 entries where 44W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	0

2D diagram of 44W

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Chemical Component Summary
Name	2-amino-6-methyl-7,8-dihydropteridin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	2-azanyl-6-methyl-7,8-dihydro-3H-pteridin-4-one
Formula	C₇ H₉ N₅ O
Molecular Weight	179.179
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C=2N=C(CNC=2N=C(N)N1)C
SMILES	CACTVS	3.385	CC1=NC2=C(NC1)N=C(N)NC2=O
SMILES	OpenEye OEToolkits	1.9.2	CC1=NC2=C(NC1)N=C(NC2=O)N
Canonical SMILES	CACTVS	3.385	CC1=NC2=C(NC1)N=C(N)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC1=NC2=C(NC1)N=C(NC2=O)N
InChI	InChI	1.03	InChI=1S/C7H9N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H2,1H3,(H4,8,9,11,12,13)
InChIKey	InChI	1.03	ZGSZMKMOKGLFHK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135420615, 309998
ChEMBL	CHEMBL317940
CCDC/CSD	MHPTEC

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