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WER

Summary

Name:	(3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
Formula:	C21 H22 N6 S
Formal charge:	0
Formula weight:	390.505 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
OpenEye OEToolkits	2.0.7	~{N}-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-~{N}-propan-2-yl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccsc1c1nc(N(C)C(C)C)c(c2nnn[NH]2)c(c1)c1ccccc1
InChI	InChI	1.06	InChI=1S/C21H22N6S/c1-13(2)27(4)21-18(20-23-25-26-24-20)16(15-8-6-5-7-9-15)12-17(22-21)19-14(3)10-11-28-19/h5-13H,1-4H3,(H,23,24,25,26)
InChIKey	InChI	1.06	RSZRNZIRPWKKMO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)N(C)c1nc(cc(c2ccccc2)c1c3[nH]nnn3)c4sccc4C
SMILES	CACTVS	3.385	CC(C)N(C)c1nc(cc(c2ccccc2)c1c3[nH]nnn3)c4sccc4C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccsc1c2cc(c(c(n2)N(C)C(C)C)c3[nH]nnn3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccsc1c2cc(c(c(n2)N(C)C(C)C)c3[nH]nnn3)c4ccccc4

225946

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