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Summary Geometry Related PDB entries

9S5

Summary

Name:	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone
Formula:	C19 H24 N6 O2
Formal charge:	0
Formula weight:	368.433 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone
OpenEye OEToolkits	2.0.7	8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1~{S})-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1
InChI	InChI	1.03	InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m0/s1
InChIKey	InChI	1.03	RZEQDKIIEMKNMN-AWEZNQCLSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H](Nc1ncc(cn1)C(=O)N2CCC3(CCOCC3)C2)c4cnccn4
SMILES	CACTVS	3.385	C[CH](Nc1ncc(cn1)C(=O)N2CCC3(CCOCC3)C2)c4cnccn4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@@H](c1cnccn1)Nc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cnccn1)Nc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4

250359

PDB entries from 2026-03-11

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