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A1J4F

Summary
Name:9-oxidanyl-6-[(1-phenylcyclohexyl)methyl]-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
Formula:C23 H29 N3 O3
Formal charge:0
Formula weight:395.495 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.79-oxidanyl-6-[(1-phenylcyclohexyl)methyl]-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H29N3O3/c1-16(2)25-13-14-26-18(24-21(28)20(27)19(26)22(25)29)15-23(11-7-4-8-12-23)17-9-5-3-6-10-17/h3,5-6,9-10,16,27H,4,7-8,11-15H2,1-2H3
InChIKeyInChI1.06BGNAIYDPAWYRHH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)N1CCN2C(=NC(=O)C(=C2C1=O)O)CC3(CCCCC3)c4ccccc4
SMILESCACTVS3.385CC(C)N1CCN2C(=NC(=O)C(=C2C1=O)O)CC3(CCCCC3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)N1CCN2C(=NC(=O)C(=C2C1=O)O)CC3(CCCCC3)c4ccccc4
SMILESOpenEye OEToolkits2.0.7CC(C)N1CCN2C(=NC(=O)C(=C2C1=O)O)CC3(CCCCC3)c4ccccc4

254917

PDB entries from 2026-06-10

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