English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1JVZ

Summary

Name:	6,7-dimethoxy-4-[4-[5-(phenylmethyl)pyrimidin-2-yl]piperazin-1-yl]quinazoline
Formula:	C25 H26 N6 O2
Formal charge:	0
Formula weight:	442.513 Da
Component type:	non-polymer

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C25H26N6O2/c1-32-22-13-20-21(14-23(22)33-2)28-17-29-24(20)30-8-10-31(11-9-30)25-26-15-19(16-27-25)12-18-6-4-3-5-7-18/h3-7,13-17H,8-12H2,1-2H3
InChIKey	InChI	1.06	VSZPUIIVZZARBI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2ncnc(N3CCN(CC3)c4ncc(Cc5ccccc5)cn4)c2cc1OC
SMILES	CACTVS	3.385	COc1cc2ncnc(N3CCN(CC3)c4ncc(Cc5ccccc5)cn4)c2cc1OC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc2c(cc1OC)ncnc2N3CCN(CC3)c4ncc(cn4)Cc5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	COc1cc2c(cc1OC)ncnc2N3CCN(CC3)c4ncc(cn4)Cc5ccccc5

257179

PDB entries from 2026-07-29

PDB statistics

PDBj update info

Contact PDBj

numon