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

SKI

Summary

Name:	6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine
Formula:	C22 H19 N3 O3
Formal charge:	0
Formula weight:	373.405 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine
OpenEye OEToolkits	2.0.7	6,7-dimethoxy-~{N}-(4-phenoxyphenyl)quinazolin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc2c(cc1OC)ncnc2Nc1ccc(Oc2ccccc2)cc1
InChI	InChI	1.03	InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)
InChIKey	InChI	1.03	DMWVGXGXHPOEPT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
SMILES	CACTVS	3.385	COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)Oc4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)Oc4ccccc4

221051

PDB entries from 2024-06-12

PDB statistics

PDBj update info

Contact PDBj

numon