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7-allyl-1,3-dimethyl-8-[(2-methylprop-2-enyl)thio]-3,7-dihydro-1H-purine-2,6-dione

7-allyl-1,3-dimethyl-8-[(2-methylprop-2-enyl)thio]-3,7-dihydro-1H-purine-2,6-dione structure

CAS No:
377061-85-3
Formula:
C14H18N4O2S
Chemical Name:
7-allyl-1,3-dimethyl-8-[(2-methylprop-2-enyl)thio]-3,7-dihydro-1H-purine-2,6-dione
Synonyms:
Oprea1_787971;Oprea1_876716;ZINC287479;STK837933;AKOS000722076;MCULE-9811046010;ST50296641;AG-690/40638087;Z223837844;1,3-dimethyl-8-(2-methylprop-2-enylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2, 6-dione

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7-allyl-1,3-dimethyl-8-[(2-methylprop-2-enyl)thio]-3,7-dihydro-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

306.38332

Exact Mass：

306.115

Characteristics

PSA：

83.7

XLogP3：

2.4

Computed Properties

Molecular Weight:306.39
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:306.11504700
Monoisotopic Mass:306.11504700
Topological Polar Surface Area:83.7
Heavy Atom Count:21
Complexity:482
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-allyl-1,3-dimethyl-8-[(2-methylprop-2-enyl)thio]-3,7-dihydro-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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