English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

MMD

Summary

Name:	5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
Formula:	C15 H19 N7 O3 S
Formal charge:	0
Formula weight:	377.421 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-[7-(methylsulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
OpenEye OEToolkits	1.7.0	5-(7-methylsulfonyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N3c2nc(nc(c1cnc(nc1)N)c2CC3)N4CCOCC4)C
SMILES_CANONICAL	CACTVS	3.370	C[S](=O)(=O)N1CCc2c1nc(nc2c3cnc(N)nc3)N4CCOCC4
SMILES	CACTVS	3.370	C[S](=O)(=O)N1CCc2c1nc(nc2c3cnc(N)nc3)N4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4
SMILES	OpenEye OEToolkits	1.7.0	CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4
InChI	InChI	1.03	InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)
InChIKey	InChI	1.03	JEGHXKRHKHPBJD-UHFFFAOYSA-N

226262

PDB entries from 2024-10-16

PDB statistics

PDBj update info

Contact PDBj

numon