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Summary Geometry Related PDB entries

7KZ

Summary

Name:	N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine
Synonyms:	N~2~-hexyl-6,7-dimethoxy-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Formula:	C22 H35 N5 O2
Formal charge:	0
Formula weight:	401.546 Da
Component type:	NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(CCCC)CNc3nc(NC1CCN(C)CC1)c2cc(c(OC)cc2n3)OC
InChI	InChI	1.03	InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26)
InChIKey	InChI	1.03	ZYNUWSFRZCRKSN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCCCNc1nc(NC2CCN(C)CC2)c3cc(OC)c(OC)cc3n1
SMILES	CACTVS	3.385	CCCCCCNc1nc(NC2CCN(C)CC2)c3cc(OC)c(OC)cc3n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC
SMILES	OpenEye OEToolkits	2.0.6	CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC

222415

건을2024-07-10부터공개중

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