3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione
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![3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/60632b98d6e54421ace8d58eb6a30593.png "3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione")
3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione
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CAS No:
303969-99-5
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Formula:
C18H22N4O2S
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Chemical Name:
3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione
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Synonyms:
SMR000009756;MLS000026962;8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione;8-(isobutylthio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione;303969-99-5;Oprea1_146205;Oprea1_637476;MLS002536761;cid_647715;CHEMBL1471203;BDBM34199;HMS2293O18;ZINC709343;STK003884;STK647004;AKOS000578355;AKOS005577901;MCULE-3328822134;3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione;SR-01000527976;SR-01000527976-1;8-(isobutylthio)-3-methyl-7-(4-methylbenzyl)xanthine;F0381-4928;3-methyl-7-(4-methylbenzyl)-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione;3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylthio)purine-2,6-dione;8-(isobutylsulfanyl)-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione;6-hydroxy-3-methyl-7-(4-methylbenzyl)-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-2H-purin-2-one
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CAS No:
3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione Basic Attributes
358.5 g/mol
358.14634713 g/mol
Computed Properties
Molecular Weight:358.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:358.14634713
Monoisotopic Mass:358.14634713
Topological Polar Surface Area:92.5
Heavy Atom Count:25
Complexity:507
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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