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Summary Geometry Related PDB entries

6OK

Summary

Name:	6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C19 H20 N6 O2
Formal charge:	0
Formula weight:	364.401 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits	2.0.4	6-azanyl-2-[2-[4-(2-hydroxyethyl)phenyl]ethylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c4c(cc2c1nc(n2)NCCc3ccc(cc3)CCO)N=C(NC4=O)N
InChI	InChI	1.03	InChI=1S/C19H20N6O2/c20-18-22-14-10-16-15(9-13(14)17(27)25-18)23-19(24-16)21-7-5-11-1-3-12(4-2-11)6-8-26/h1-4,9-10,26H,5-8H2,(H2,21,23,24)(H3,20,22,25,27)
InChIKey	InChI	1.03	RGCYFFRYXJGABS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC1=Nc2cc3nc(NCCc4ccc(CCO)cc4)[nH]c3cc2C(=O)N1
SMILES	CACTVS	3.385	NC1=Nc2cc3nc(NCCc4ccc(CCO)cc4)[nH]c3cc2C(=O)N1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO
SMILES	OpenEye OEToolkits	2.0.4	c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO

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