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Summary Geometry Related PDB entries

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Summary

Name:	N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine
Formula:	C16 H18 N6 S
Formal charge:	0
Formula weight:	326.419 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine
OpenEye OEToolkits	1.7.2	N4-[4-(2-azanyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N1,N1-dimethyl-benzene-1,4-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c(c1sc(nc1C)N)ccnc2Nc3ccc(N(C)C)cc3
InChI	InChI	1.03	InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
InChIKey	InChI	1.03	WGPQOBMGPFXDSX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	CN(C)c1ccc(Nc2nccc(n2)c3sc(N)nc3C)cc1
SMILES	CACTVS	3.370	CN(C)c1ccc(Nc2nccc(n2)c3sc(N)nc3C)cc1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N(C)C
SMILES	OpenEye OEToolkits	1.7.2	Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N(C)C

221716

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