8-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione

SpectraBase Compound ID	IpgahHxDZjN
InChI	InChI=1S/C22H24ClN9O3S/c1-29-17-16(18(33)30(2)22(29)34)32(11-13-5-3-4-6-14(13)23)21(27-17)36-12-15-25-19(24)28-20(26-15)31-7-9-35-10-8-31/h3-6H,7-12H2,1-2H3,(H2,24,25,26,28)
InChIKey	BCEUBSAHKXKOMI-UHFFFAOYSA-N Google Search
Mol Weight	530.01 g/mol
Molecular Formula	C22H24ClN9O3S
Exact Mass	529.141135 g/mol

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SpectraBase Spectrum ID	3DvDK7qOk8S
Name	8-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H24ClN9O3S
InChI	InChI=1S/C22H24ClN9O3S/c1-29-17-16(18(33)30(2)22(29)34)32(11-13-5-3-4-6-14(13)23)21(27-17)36-12-15-25-19(24)28-20(26-15)31-7-9-35-10-8-31/h3-6H,7-12H2,1-2H3,(H2,24,25,26,28)
InChIKey	BCEUBSAHKXKOMI-UHFFFAOYSA-N
Molecular Weight	530.007 g/mol
SMILES	Nc1nc(nc(n1)CSc1nc2c([n]1Cc1c(Cl)cccc1)C(=O)N(C(N2C)=O)C)N1CCOCC1
SPLASH	splash10-004m-4900000000-7592a2663382b2ee696c
Synonyms	8-[(4-amino-6-morpholino-1,3,5-triazin-2-yl)methylsulfanyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-[(4-amino-6-morpholino-s-triazin-2-yl)methylthio]-7-(2-chlorobenzyl)-1,3-dimethyl-xanthine 8-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methylthio]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Wiley ID	1460697