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

Q0W

Summary
Name:4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile
Formula:C10 H10 N6
Formal charge:0
Formula weight:214.227 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H10N6/c1-2-16-5-7(4-15-16)9-8(3-11)10(12)14-6-13-9/h4-6H,2H2,1H3,(H2,12,13,14)
InChIKeyInChI1.03UXGKYAIKFHQQGH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCn1cc(cn1)c2ncnc(N)c2C#N
SMILESCACTVS3.385CCn1cc(cn1)c2ncnc(N)c2C#N
SMILES_CANONICALOpenEye OEToolkits2.0.7CCn1cc(cn1)c2c(c(ncn2)N)C#N
SMILESOpenEye OEToolkits2.0.7CCn1cc(cn1)c2c(c(ncn2)N)C#N

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon