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Summary Geometry Related PDB entries

D2N

Summary

Name:	ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate
Formula:	C24 H31 N5 O4
Formal charge:	0
Formula weight:	453.534 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate
OpenEye OEToolkits	1.7.0	ethyl 6-[3-[[2,4-bis(azanyl)-5-methyl-pyrido[2,3-d]pyrimidin-6-yl]methyl]-4-methoxy-phenoxy]hexanoate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC)CCCCCOc1cc(c(OC)cc1)Cc2c(c3c(nc2)nc(nc3N)N)C
SMILES_CANONICAL	CACTVS	3.370	CCOC(=O)CCCCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
SMILES	CACTVS	3.370	CCOC(=O)CCCCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CCOC(=O)CCCCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC
SMILES	OpenEye OEToolkits	1.7.0	CCOC(=O)CCCCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC
InChI	InChI	1.03	InChI=1S/C24H31N5O4/c1-4-32-20(30)8-6-5-7-11-33-18-9-10-19(31-3)16(13-18)12-17-14-27-23-21(15(17)2)22(25)28-24(26)29-23/h9-10,13-14H,4-8,11-12H2,1-3H3,(H4,25,26,27,28,29)
InChIKey	InChI	1.03	FGBRLIYQKRWOSO-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

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