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Summary Geometry Related PDB entries

A1BW5

Summary

Name:	(6M)-8-(3-aminopropyl)-6-(4-butoxy-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:	C22 H29 N5 O2
Formal charge:	0
Formula weight:	395.498 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(6M)-8-(3-aminopropyl)-6-(4-butoxy-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
OpenEye OEToolkits	3.1.0.0	8-(3-azanylpropyl)-6-(4-butoxy-2-methyl-phenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CCCCOc1ccc(C2=Cc3cnc(nc3N(CCCN)C2=O)NC)c(C)c1
InChI	InChI	1.06	InChI=1S/C22H29N5O2/c1-4-5-11-29-17-7-8-18(15(2)12-17)19-13-16-14-25-22(24-3)26-20(16)27(21(19)28)10-6-9-23/h7-8,12-14H,4-6,9-11,23H2,1-3H3,(H,24,25,26)
InChIKey	InChI	1.06	ODYXWFJFAGROAV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCOc1ccc(c(C)c1)C2=Cc3cnc(NC)nc3N(CCCN)C2=O
SMILES	CACTVS	3.385	CCCCOc1ccc(c(C)c1)C2=Cc3cnc(NC)nc3N(CCCN)C2=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CCCCOc1ccc(c(c1)C)C2=Cc3cnc(nc3N(C2=O)CCCN)NC
SMILES	OpenEye OEToolkits	3.1.0.0	CCCCOc1ccc(c(c1)C)C2=Cc3cnc(nc3N(C2=O)CCCN)NC

250835

PDB entries from 2026-03-18

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