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Summary Geometry Related PDB entries

A1JVV

Summary

Name:	6,7-bis(2-methoxyethoxy)-4-[4-[5-(phenylmethyl)pyrimidin-2-yl]piperazin-1-yl]quinazoline
Formula:	C29 H34 N6 O4
Formal charge:	0
Formula weight:	530.618 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	6,7-bis(2-methoxyethoxy)-4-[4-[5-(phenylmethyl)pyrimidin-2-yl]piperazin-1-yl]quinazoline

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
InChIKey	InChI	1.06	GWVUCXTYNJIWGK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COCCOc1cc2ncnc(N3CCN(CC3)c4ncc(Cc5ccccc5)cn4)c2cc1OCCOC
SMILES	CACTVS	3.385	COCCOc1cc2ncnc(N3CCN(CC3)c4ncc(Cc5ccccc5)cn4)c2cc1OCCOC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COCCOc1cc2c(cc1OCCOC)ncnc2N3CCN(CC3)c4ncc(cn4)Cc5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	COCCOc1cc2c(cc1OCCOC)ncnc2N3CCN(CC3)c4ncc(cn4)Cc5ccccc5

257179

PDB entries from 2026-07-29

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