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SummaryGeometryRelated PDB entries

2YO

Summary
Name:2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:C16 H20 N6 O
Formal charge:0
Formula weight:312.37 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits1.7.62-(2-piperidin-1-ylethylamino)-3,5-dihydroimidazo[4,5-g]quinazolin-8-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C4N=CNc2c4cc3nc(NCCN1CCCCC1)nc3c2
InChIInChI1.03InChI=1S/C16H20N6O/c23-15-11-8-13-14(9-12(11)18-10-19-15)21-16(20-13)17-4-7-22-5-2-1-3-6-22/h8-10H,1-7H2,(H2,17,20,21)(H,18,19,23)
InChIKeyInChI1.03NFLZHTAOFKJMSG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1N=CNc2cc3[nH]c(NCCN4CCCCC4)nc3cc12
SMILESCACTVS3.385O=C1N=CNc2cc3[nH]c(NCCN4CCCCC4)nc3cc12
SMILES_CANONICALOpenEye OEToolkits1.7.6c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O
SMILESOpenEye OEToolkits1.7.6c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O

222415

PDB entries from 2024-07-10

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