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

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

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

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

structure
  • CAS No:

    460360-78-5

  • Formula:

    C22H29N5O2S

  • Chemical Name:

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

  • Synonyms:

    MLS000035864;SMR000012880;1,3-Dimethyl-7-(4-methyl-benzyl)-8-(2-piperidin-1-yl-ethylsulfanyl)-3,7-dihydro-purine-2,6-dione;1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione;BAS 04427087;Oprea1_476488;Oprea1_710678;MLS002536409;cid_649461;CHEMBL1539839;REGID_for_CID_649461;BDBM41431;HMS2308J07;ZINC2384444;STL005954;AKOS000651038;MCULE-5500495638;1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione;NCGC00033288-02;AB00392631-09;1,3-dimethyl-7-(4-methylbenzyl)-8-(2-piperidinoethylthio)xanthine;1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione;1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(1-piperidinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione;460360-78-5

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

427.6 g/mol

427.20419636 g/mol

Characteristics

87 Ų

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, 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:427.6
XLogP3:3.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:427.20419636
Monoisotopic Mass:427.20419636
Topological Polar Surface Area:87
Heavy Atom Count:30
Complexity:621
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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