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8LP

Summary
Name:6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione
Formula:C27 H23 N3 O3
Formal charge:0
Formula weight:437.49 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione
OpenEye OEToolkits2.0.63-(3-phenylmethoxyphenyl)-6-(phenylmethyl)-1,4-dihydropyrido[4,3-d]pyrimidine-2,7-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N5C=2C(=CN(Cc1ccccc1)C(C=2)=O)CN(c3cccc(c3)OCc4ccccc4)C5=O
InChIInChI1.03InChI=1S/C27H23N3O3/c31-26-15-25-22(17-29(26)16-20-8-3-1-4-9-20)18-30(27(32)28-25)23-12-7-13-24(14-23)33-19-21-10-5-2-6-11-21/h1-15,17H,16,18-19H2,(H,28,32)
InChIKeyInChI1.03BHMKGMWMMMZMJN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1NC2=CC(=O)N(Cc3ccccc3)C=C2CN1c4cccc(OCc5ccccc5)c4
SMILESCACTVS3.385O=C1NC2=CC(=O)N(Cc3ccccc3)C=C2CN1c4cccc(OCc5ccccc5)c4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5

227111

PDB entries from 2024-11-06

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