DX3

6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine

Created:	2007-12-17
Last modified:	2011-06-04

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1 entries where DX3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of DX3

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Chemical Component Summary
Name	6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	6,7,7-trimethyl-8H-pteridine-2,4-diamine
Formula	C₉ H₁₄ N₆
Molecular Weight	206.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c(nc1c(N=C(C(N1)(C)C)C)c2N)N
SMILES	CACTVS	3.341	CC1=Nc2c(N)nc(N)nc2NC1(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC1=Nc2c(nc(nc2NC1(C)C)N)N
Canonical SMILES	CACTVS	3.341	CC1=Nc2c(N)nc(N)nc2NC1(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=Nc2c(nc(nc2NC1(C)C)N)N
InChI	InChI	1.03	InChI=1S/C9H14N6/c1-4-9(2,3)15-7-5(12-4)6(10)13-8(11)14-7/h1-3H3,(H5,10,11,13,14,15)
InChIKey	InChI	1.03	GDXJTHGAKWYHNK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	45485275
ChEMBL	CHEMBL566271

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