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A1ISA

Summary
Name:5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one
Formula:C22 H20 N4 O2
Formal charge:0
Formula weight:372.42 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H20N4O2/c1-3-15-13-20(27)26(16-9-5-4-6-10-16)21-17(15)14-23-22(25-21)24-18-11-7-8-12-19(18)28-2/h4-14H,3H2,1-2H3,(H,23,24,25)
InChIKeyInChI1.06HPXXVKFIRJYEBH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4ccccc4OC)ncc13
SMILESCACTVS3.385CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4ccccc4OC)ncc13
SMILES_CANONICALOpenEye OEToolkits2.0.7CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccccc3OC)c4ccccc4
SMILESOpenEye OEToolkits2.0.7CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccccc3OC)c4ccccc4

248335

PDB entries from 2026-01-28

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