0C7

N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine

Created:	2011-12-02
Last modified:	2011-12-02

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1 entries where 0C7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	23

2D diagram of 0C7

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Chemical Component Summary
Name	N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	N4-(2-chlorophenyl)-N2-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
Formula	C₁₇ H₁₃ Cl N₈
Molecular Weight	364.792
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccccc1Nc2nc(ncc2)Nc4ccc(c3nnnn3)cc4
SMILES	CACTVS	3.370	Clc1ccccc1Nc2ccnc(Nc3ccc(cc3)c4[nH]nnn4)n2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl
Canonical SMILES	CACTVS	3.370	Clc1ccccc1Nc2ccnc(Nc3ccc(cc3)c4[nH]nnn4)n2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl
InChI	InChI	1.03	InChI=1S/C17H13ClN8/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16-23-25-26-24-16/h1-10H,(H2,19,20,21,22)(H,23,24,25,26)
InChIKey	InChI	1.03	GADYBZMYJCZJLX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2170416
PubChem	56587967
ChEMBL	CHEMBL2170416

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