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POY

Summary
Name:3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Synonyms:Propentofylline
Formula:C15 H22 N4 O3
Formal charge:0
Formula weight:306.36 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
OpenEye OEToolkits1.7.03-methyl-1-(5-oxohexyl)-7-propyl-purine-2,6-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c1n(cnc1N(C(=O)N2CCCCC(=O)C)C)CCC
SMILES_CANONICALCACTVS3.370CCCn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12
SMILESCACTVS3.370CCCn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12
SMILES_CANONICALOpenEye OEToolkits1.7.0CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C
SMILESOpenEye OEToolkits1.7.0CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C
InChIInChI1.03InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3
InChIKeyInChI1.03RBQOQRRFDPXAGN-UHFFFAOYSA-N

224572

数据于2024-09-04公开中

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