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Summary Geometry Related PDB entries

591

Summary

Name:	(5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Synonyms:	WAY-256591
Formula:	C19 H19 N7 O
Formal charge:	0
Formula weight:	361.4 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
OpenEye OEToolkits	1.7.2	(5S)-2-azanyl-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C4N(C(=NC4(c1cn(nc1)CC)c3cccc(c2cncnc2)c3)N)C
SMILES_CANONICAL	CACTVS	3.370	CCn1cc(cn1)[C@@]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cncnc4
SMILES	CACTVS	3.370	CCn1cc(cn1)[C]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cncnc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	CCn1cc(cn1)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4
SMILES	OpenEye OEToolkits	1.7.2	CCn1cc(cn1)C2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4
InChI	InChI	1.03	InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)/t19-/m0/s1
InChIKey	InChI	1.03	DNDFMOOQRXKYQL-IBGZPJMESA-N

248636

PDB entries from 2026-02-04

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