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7-allyl-1,3-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

7-allyl-1,3-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione structure

CAS No:
377063-48-4
Formula:
C13H18N4O2S
Chemical Name:
7-allyl-1,3-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Synonyms:
Oprea1_390148;Oprea1_793210;ZINC2072307;STL070760;AKOS000721947;MCULE-4712953704;1,3-dimethyl-7-(prop-2-en-1-yl)-8-(propylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione;UPCMLD0ENAT5732403:001;NCGC00280921-01;ST50566630

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7-allyl-1,3-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

294.37262

Exact Mass：

294.115

Characteristics

PSA：

83.7

XLogP3：

2.1

Computed Properties

Molecular Weight:294.38
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:294.11504700
Monoisotopic Mass:294.11504700
Topological Polar Surface Area:83.7
Heavy Atom Count:20
Complexity:417
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-allyl-1,3-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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