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Summary Geometry Related PDB entries

2YM

Summary

Name:	6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C16 H21 N7 O
Formal charge:	0
Formula weight:	327.384 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits	1.7.6	6-azanyl-2-(2-piperidin-1-ylethylamino)-3,5-dihydroimidazo[4,5-g]quinazolin-8-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C4N=C(N)Nc2c4cc3nc(NCCN1CCCCC1)nc3c2
InChI	InChI	1.03	InChI=1S/C16H21N7O/c17-15-19-11-9-13-12(8-10(11)14(24)22-15)20-16(21-13)18-4-7-23-5-2-1-3-6-23/h8-9H,1-7H2,(H2,18,20,21)(H3,17,19,22,24)
InChIKey	InChI	1.03	BIGVTSCIEIRKFZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC1=NC(=O)c2cc3nc(NCCN4CCCCC4)[nH]c3cc2N1
SMILES	CACTVS	3.385	NC1=NC(=O)c2cc3nc(NCCN4CCCCC4)[nH]c3cc2N1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=O)N
SMILES	OpenEye OEToolkits	1.7.6	c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=O)N

223532

건을2024-08-07부터공개중

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