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Home > Encyclopedia > 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione

1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione

1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione structure

1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione 

structure
  • CAS No:

    441289-42-5

  • Formula:

    C19H24N4O2S

  • Chemical Name:

    1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione

  • Synonyms:

    441289-42-5;SMR000010030;MLS000068693;8-Isobutylsulfanyl-1,3-dimethyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione;ChemDiv2_003844;Oprea1_024281;Oprea1_386928;MLS002536334;CHEMBL1580762;HMS1379O16;HMS2407P17;ZINC850873;AKOS000578264;CCG-290552;MCULE-5519016919;IDI1_002559;ST50246573;AB00137279-07;SR-01000442174;SR-01000442174-1;F0424-0006;8-(isobutylthio)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione;8-(isobutylthio)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione;1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylthio)-1,3,7-trihydrop urine-2,6-dione

1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione Basic Attributes

372.5 g/mol

372.16199719 g/mol

Characteristics

83.7 Ų

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:372.5
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:372.16199719
Monoisotopic Mass:372.16199719
Topological Polar Surface Area:83.7
Heavy Atom Count:26
Complexity:536
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylsulfanyl)purine-2,6-dione

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