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Summary Geometry Related PDB entries

7L6

Summary

Name:	6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine
Formula:	C20 H29 N5 O3
Formal charge:	0
Formula weight:	387.476 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine
OpenEye OEToolkits	2.0.6	6,7-dimethoxy-~{N}-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-quinazolin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c12nc(nc(c1cc(c(c2)OC)OC)NC3CCN(CC3)C)N4CCOCC4
InChI	InChI	1.03	InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)
InChIKey	InChI	1.03	MEVMMQQJOXBSAX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N4CCOCC4
SMILES	CACTVS	3.385	COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC
SMILES	OpenEye OEToolkits	2.0.6	CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC

223532

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