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Summary Geometry Related PDB entries

NRM

Summary

Name:	N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
Formula:	C13 H11 N7 S
Formal charge:	0
Formula weight:	297.338 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(3-methyl-1,2-thiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
OpenEye OEToolkits	1.7.0	3-methyl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4c(Nc1snc(c1)C)c3ncc(c2cnnc2)n3cc4
SMILES_CANONICAL	CACTVS	3.370	Cc1cc(Nc2nccn3c(cnc23)c4c[nH]nc4)sn1
SMILES	CACTVS	3.370	Cc1cc(Nc2nccn3c(cnc23)c4c[nH]nc4)sn1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4
SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4
InChI	InChI	1.03	InChI=1S/C13H11N7S/c1-8-4-11(21-19-8)18-12-13-15-7-10(9-5-16-17-6-9)20(13)3-2-14-12/h2-7H,1H3,(H,14,18)(H,16,17)
InChIKey	InChI	1.03	XWFNCZUACYBPGT-UHFFFAOYSA-N

221051

PDB entries from 2024-06-12

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