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Summary Geometry Related PDB entries

Y9V

Summary

Name:	N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
Formula:	C16 H14 Cl N5 O
Formal charge:	0
Formula weight:	327.768 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
OpenEye OEToolkits	2.0.7	~{N}-[(2~{R})-5-chloranyl-2,3-dihydro-1~{H}-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc(on1)c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1
InChI	InChI	1.06	InChI=1S/C16H14ClN5O/c1-9-20-15(23-22-9)12-7-18-16(19-8-12)21-14-5-10-2-3-13(17)4-11(10)6-14/h2-4,7-8,14H,5-6H2,1H3,(H,18,19,21)
InChIKey	InChI	1.06	JJQCQNKADMBVHU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1noc(n1)c2cnc(N[C@@H]3Cc4ccc(Cl)cc4C3)nc2
SMILES	CACTVS	3.385	Cc1noc(n1)c2cnc(N[CH]3Cc4ccc(Cl)cc4C3)nc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1nc(on1)c2cnc(nc2)N[C@@H]3Cc4ccc(cc4C3)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(on1)c2cnc(nc2)NC3Cc4ccc(cc4C3)Cl

251174

PDB entries from 2026-03-25

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