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8-Ethyl-2-[4-[(4-methoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid
SpectraBase Compound ID CAyTaKYNrID
InChI InChI=1S/C22H24N6O4S/c1-3-26-13-17(20(30)31)18(29)16-12-23-21(25-19(16)26)27-8-10-28(11-9-27)22(33)24-14-4-6-15(32-2)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,33)(H,30,31)
InChIKey KKYNZQLSWIDACW-UHFFFAOYSA-N
Mol Weight 468.53 g/mol
Molecular Formula C22H24N6O4S
Exact Mass 468.157974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEw1PsswzrT
Name 8-Ethyl-2-[4-[(4-methoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N6O4S
InChI InChI=1S/C22H24N6O4S/c1-3-26-13-17(20(30)31)18(29)16-12-23-21(25-19(16)26)27-8-10-28(11-9-27)22(33)24-14-4-6-15(32-2)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,33)(H,30,31)
InChIKey KKYNZQLSWIDACW-UHFFFAOYSA-N
Molecular Weight 468.532 g/mol
SMILES N(C(N1CCN(c2ncc3C(C(C(=O)O)=CN(c3n2)CC)=O)CC1)=S)c1ccc(cc1)OC
SPLASH splash10-11vr-9520000000-c866c61e2b0032090b77
Synonyms 8-Ethyl-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid 8-Ethyl-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid 8-Ethyl-5-keto-2-[4-[(4-methoxyphenyl)thiocarbamoyl]piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid
Wiley ID 1442345