1,3-dimethyl-8-(pyridin-4-ylmethylsulfanyl)-2-sulfanylidene-7H-purin-6-one
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1,3-dimethyl-8-(pyridin-4-ylmethylsulfanyl)-2-sulfanylidene-7H-purin-6-one
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CAS No:
6466-16-6
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Formula:
C13H13N5OS2
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Chemical Name:
1,3-dimethyl-8-(pyridin-4-ylmethylsulfanyl)-2-sulfanylidene-7H-purin-6-one
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Synonyms:
6466-16-6;NSC99665;1,3-dimethyl-8-[(pyridin-4-ylmethyl)sulfanyl]-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one;DTXSID70295103;NSC-99665;ZINC17379707;1,3-Dimethyl-8-((pyridin-4-ylmethyl)thio)-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one
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CAS No:
1,3-dimethyl-8-(pyridin-4-ylmethylsulfanyl)-2-sulfanylidene-7H-purin-6-one Basic Attributes
319.4 g/mol
319.05615240 g/mol
99665
DTXSID70295103
Computed Properties
Molecular Weight:319.4
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:319.05615240
Monoisotopic Mass:319.05615240
Topological Polar Surface Area:123
Heavy Atom Count:21
Complexity:429
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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