7-butyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione
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7-butyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione
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CAS No:
303968-78-7
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Formula:
C18H20N4O3S
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Chemical Name:
7-butyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione
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Synonyms:
MLS000072071;7-Butyl-3-methyl-8-(2-oxo-2-phenyl-ethylsulfanyl)-3,7-dihydro-purine-2,6-dione;SMR000009754;7-butyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione;MLS000100698;Oprea1_294808;Oprea1_791016;7-butyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione;cid_646940;CHEMBL1299367;BDBM56887;HMS2299E04;STK064986;ZINC12467336;AKOS000578201;CCG-105797;MCULE-8129979213;NCGC00030876-02;7-butyl-3-methyl-8-(phenacylthio)xanthine;MLS-0082272.0001;MLS-0082272.0002;AB00131565-10;SR-01000425073;7-butyl-3-methyl-8-(phenacylthio)purine-2,6-dione;SR-01000425073-1;7-butyl-3-methyl-8-phenacylsulfanyl-purine-2,6-dione;303968-78-7
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CAS No:
Computed Properties
Molecular Weight:372.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:372.12561169
Monoisotopic Mass:372.12561169
Topological Polar Surface Area:110
Heavy Atom Count:26
Complexity:553
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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