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Summary Geometry Related PDB entries

472

Summary

Name:	(5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
Formula:	C20 H17 N5 O
Formal charge:	0
Formula weight:	343.382 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	11.02	(5S)-2-amino-3-methyl-5-(pyridin-4-yl)-5-[3-(pyridin-3-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
OpenEye OEToolkits	1.6.1	(5S)-2-azanyl-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C2N(C(=NC2(c1ccncc1)c4cccc(c3cccnc3)c4)N)C
SMILES_CANONICAL	CACTVS	3.352	CN1C(=N[C@](c2ccncc2)(c3cccc(c3)c4cccnc4)C1=O)N
SMILES	CACTVS	3.352	CN1C(=N[C](c2ccncc2)(c3cccc(c3)c4cccnc4)C1=O)N
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4
SMILES	OpenEye OEToolkits	1.7.0	CN1C(=O)C(N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4
InChI	InChI	1.03	InChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24)/t20-/m1/s1
InChIKey	InChI	1.03	AIKOTXHNUIYVMD-HXUWFJFHSA-N

223532

PDB entries from 2024-08-07

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