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Summary Geometry Related PDB entries

32W

Summary

Name:	N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
Formula:	C23 H21 N5 O2
Formal charge:	0
Formula weight:	399.445 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(2-methoxyethyl)-4-{[6-(pyridin-4-yl)quinazolin-2-yl]amino}benzamide
OpenEye OEToolkits	1.9.2	N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCOC)c1ccc(cc1)Nc4nc2c(cc(cc2)c3ccncc3)cn4
InChI	InChI	1.03	InChI=1S/C23H21N5O2/c1-30-13-12-25-22(29)17-2-5-20(6-3-17)27-23-26-15-19-14-18(4-7-21(19)28-23)16-8-10-24-11-9-16/h2-11,14-15H,12-13H2,1H3,(H,25,29)(H,26,27,28)
InChIKey	InChI	1.03	NXVFABZXYFFUBF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COCCNC(=O)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1
SMILES	CACTVS	3.385	COCCNC(=O)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	COCCNC(=O)c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4
SMILES	OpenEye OEToolkits	1.9.2	COCCNC(=O)c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4

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