D2O

6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

Created:	2010-07-29
Last modified:	2011-06-04

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1 entries where D2O is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	23

2D diagram of D2O

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Chemical Component Summary
Name	6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	6-[(2-methoxy-5-phenethyloxy-phenyl)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
Formula	C₂₄ H₂₅ N₅ O₂
Molecular Weight	415.488
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cc(c(c2c1nc(nc2N)N)C)Cc4cc(OCCc3ccccc3)ccc4OC
SMILES	CACTVS	3.370	COc1ccc(OCCc2ccccc2)cc1Cc3cnc4nc(N)nc(N)c4c3C
SMILES	OpenEye OEToolkits	1.7.0	Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCc4ccccc4
Canonical SMILES	CACTVS	3.370	COc1ccc(OCCc2ccccc2)cc1Cc3cnc4nc(N)nc(N)c4c3C
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCc4ccccc4
InChI	InChI	1.03	InChI=1S/C24H25N5O2/c1-15-18(14-27-23-21(15)22(25)28-24(26)29-23)12-17-13-19(8-9-20(17)30-2)31-11-10-16-6-4-3-5-7-16/h3-9,13-14H,10-12H2,1-2H3,(H4,25,26,27,28,29)
InChIKey	InChI	1.03	VSDLZXWDJQMRIQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49866883

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