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

13F

Summary
Name:3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Formula:C15 H15 N3 O3 S
Formal charge:0
Formula weight:317.363 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
OpenEye OEToolkits1.7.63-methyl-2-oxidanylidene-N-phenyl-1,4-dihydroquinazoline-6-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ccc2NC(=O)N(Cc2c1)C)Nc3ccccc3
InChIInChI1.03InChI=1S/C15H15N3O3S/c1-18-10-11-9-13(7-8-14(11)16-15(18)19)22(20,21)17-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,19)
InChIKeyInChI1.03MUQCGKPYCUDNMX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CN1Cc2cc(ccc2NC1=O)[S](=O)(=O)Nc3ccccc3
SMILESCACTVS3.370CN1Cc2cc(ccc2NC1=O)[S](=O)(=O)Nc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3
SMILESOpenEye OEToolkits1.7.6CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3

220113

PDB entries from 2024-05-22

PDB statisticsPDBj update infoContact PDBjnumon