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

9C3

Summary
Name:9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
Formula:C16 H18 N2 O3 S
Formal charge:0
Formula weight:318.391 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.019-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
OpenEye OEToolkits2.0.69-(4-propan-2-yloxyphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3cc(C1=CC=CN2C1=NS(CC2)(=O)=O)ccc3OC(C)C
InChIInChI1.03InChI=1S/C16H18N2O3S/c1-12(2)21-14-7-5-13(6-8-14)15-4-3-9-18-10-11-22(19,20)17-16(15)18/h3-9,12H,10-11H2,1-2H3
InChIKeyInChI1.03FNMSASHKBXSERE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)Oc1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
SMILESCACTVS3.385CC(C)Oc1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3
SMILESOpenEye OEToolkits2.0.6CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon