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Summary Geometry Related PDB entries

FRV

Summary

Name:	4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE
Formula:	C18 H20 N6 O2 S
Formal charge:	0
Formula weight:	384.455 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-{[4-(1-cyclopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
OpenEye OEToolkits	1.5.0	4-[[4-(3-cyclopropyl-2-methyl-imidazol-4-yl)pyrimidin-2-yl]amino]-N-methyl-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(NC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C4CC4)C
SMILES_CANONICAL	CACTVS	3.341	CN[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C4CC4)cc1
SMILES	CACTVS	3.341	CN[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C4CC4)cc1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC
SMILES	OpenEye OEToolkits	1.5.0	Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC
InChI	InChI	1.03	InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23)
InChIKey	InChI	1.03	MZWCVBFANHIPTJ-UHFFFAOYSA-N

218853

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