Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

NV0

Summary
Name:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione
Formula:C20 H22 N2 O5
Formal charge:0
Formula weight:370.399 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H22N2O5/c1-4-10-22-19(26)16-11(2)12(8-9-13(16)21(3)20(22)27)18(25)17-14(23)6-5-7-15(17)24/h8-9,23H,4-7,10H2,1-3H3
InChIKeyInChI1.06GZGGFOQLRZHBAA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCN1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C(O)CCCC3=O
SMILESCACTVS3.385CCCN1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C(O)CCCC3=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCN1C(=O)c2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCCC3=O)O)C
SMILESOpenEye OEToolkits2.0.7CCCN1C(=O)c2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCCC3=O)O)C

227344

数据于2024-11-13公开中

PDB statisticsPDBj update infoContact PDBjnumon