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Summary Geometry Related PDB entries

4T3

Summary

Name:	2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
Formula:	C17 H21 N7 S
Formal charge:	0
Formula weight:	355.461 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
OpenEye OEToolkits	1.9.2	2-(4-azanylpiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c23c(nc(N1CCC(CC1)N)nc2ccs3)Nc5cc(C4CC4)nn5
InChI	InChI	1.03	InChI=1S/C17H21N7S/c18-11-3-6-24(7-4-11)17-19-12-5-8-25-15(12)16(21-17)20-14-9-13(22-23-14)10-1-2-10/h5,8-11H,1-4,6-7,18H2,(H2,19,20,21,22,23)
InChIKey	InChI	1.03	DNTNKJATBLJMII-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC1CCN(CC1)c2nc(Nc3cc([nH]n3)C4CC4)c5sccc5n2
SMILES	CACTVS	3.385	NC1CCN(CC1)c2nc(Nc3cc([nH]n3)C4CC4)c5sccc5n2
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N
SMILES	OpenEye OEToolkits	1.9.2	c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N

225946

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