KTZ

N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Created:	2014-01-16
Last modified:	2015-01-21

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1 entries where KTZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	22

2D diagram of KTZ

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Chemical Component Summary
Name	N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Formula	C₂₀ H₁₉ N₅
Molecular Weight	329.398
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c3c(c(nc1N)N(C)C)c(c(c2ccccc2)n3)c4ccccc4
SMILES	CACTVS	3.385	CN(C)c1nc(N)nc2[nH]c(c3ccccc3)c(c4ccccc4)c12
SMILES	OpenEye OEToolkits	1.9.2	CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4
Canonical SMILES	CACTVS	3.385	CN(C)c1nc(N)nc2[nH]c(c3ccccc3)c(c4ccccc4)c12
Canonical SMILES	OpenEye OEToolkits	1.9.2	CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4
InChI	InChI	1.03	InChI=1S/C20H19N5/c1-25(2)19-16-15(13-9-5-3-6-10-13)17(14-11-7-4-8-12-14)22-18(16)23-20(21)24-19/h3-12H,1-2H3,(H3,21,22,23,24)
InChIKey	InChI	1.03	DDOAMBAFKLSUFY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	86580360
ChEMBL	CHEMBL3318920

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