 Home > Encyclopedia > 7-[(E)-3-chlorobut-2-enyl]-8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethylpurine-2,6-dione

7-[(E)-3-chlorobut-2-enyl]-8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethylpurine-2,6-dione

7-[(E)-3-chlorobut-2-enyl]-8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethylpurine-2,6-dione structure

CAS No:
478253-38-2
Formula:
C15H15ClN8O5
Chemical Name:
7-[(E)-3-chlorobut-2-enyl]-8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethylpurine-2,6-dione
Synonyms:
C15H15ClN8O5;ZINC9158405;STL006794;STL041311;AKOS005695141;AKOS032388886;(8E)-7-[(2E)-3-chlorobut-2-en-1-yl]-8-[(2Z)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione;(E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione;478253-38-2;5-(2-{7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazinylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

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7-[(E)-3-chlorobut-2-enyl]-8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

422.78 g/mol

Exact Mass：

422.0853933 g/mol

Characteristics

PSA：

162 Å²

Safety Information

GHS Classification：

|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:422.78
XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:422.0853933
Monoisotopic Mass:422.0853933
Topological Polar Surface Area:162
Heavy Atom Count:29
Complexity:871
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-[(E)-3-chlorobut-2-enyl]-8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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