Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

P9L

Summary
Name:1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
Formula:C14 H19 N3 O4 S
Formal charge:0
Formula weight:325.383 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
OpenEye OEToolkits1.9.21,3-dimethyl-6-morpholin-4-ylsulfonyl-4H-quinazolin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N1CCOCC1)c3cc2c(N(C(=O)N(C)C2)C)cc3
InChIInChI1.03InChI=1S/C14H19N3O4S/c1-15-10-11-9-12(3-4-13(11)16(2)14(15)18)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyInChI1.03LFBDSGLXLXJATE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOCC3
SMILESCACTVS3.385CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOCC3
SMILES_CANONICALOpenEye OEToolkits1.9.2CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3
SMILESOpenEye OEToolkits1.9.2CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon