3-(4-Chlorophenyl)-2-cyclohexylamino-8-cyano-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidin-4(3H)-one

SpectraBase Compound ID	BhYCrbdahxj
InChI	InChI=1S/C22H22ClN5OS/c1-13-18-19(17(12-24)20(25-13)30-2)27-22(26-15-6-4-3-5-7-15)28(21(18)29)16-10-8-14(23)9-11-16/h8-11,15H,3-7H2,1-2H3,(H,26,27)
InChIKey	XFAMXTMVDNBBGN-UHFFFAOYSA-N Google Search
Mol Weight	439.97 g/mol
Molecular Formula	C22H22ClN5OS
Exact Mass	439.123359 g/mol

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SpectraBase Spectrum ID	JKy680a8QPb
Name	3-(4-Chlorophenyl)-2-cyclohexylamino-8-cyano-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidin-4(3H)-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H22ClN5OS
InChI	InChI=1S/C22H22ClN5OS/c1-13-18-19(17(12-24)20(25-13)30-2)27-22(26-15-6-4-3-5-7-15)28(21(18)29)16-10-8-14(23)9-11-16/h8-11,15H,3-7H2,1-2H3,(H,26,27)
InChIKey	XFAMXTMVDNBBGN-UHFFFAOYSA-N
Molecular Weight	439.965 g/mol
SMILES	N(C=1N(C(c2c(c(C#N)c(nc2C)SC)N1)=O)c1ccc(cc1)Cl)C1CCCCC1
SPLASH	splash10-0a4i-0109600000-9fb8cfb34e518dd0bd45
Source of Spectrum	Y-51-289-6j
Synonyms	3-(4-Chlorophenyl)-2-(cyclohexylamino)-5-methyl-7-(methylthio)-4-oxo-3,4-dihydropyrido[4,3-d]pyrimidine-8-carbonitrile
Wiley ID	1741303