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1-benzyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one

1-benzyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one structure

CAS No:
585562-64-7
Formula:
C21H21N3O4S
Chemical Name:
1-benzyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Synonyms:
MLS000333652;CHEMBL1449880;HMS2794P16;ZINC2393327;STL042197;AKOS005695666;AKOS032386317;ZINC101084747;MCULE-6070753010;SMR000437715;(5E)-1-benzyl-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione;(Z)-1-benzyl-5-(((3,5-dimethoxybenzyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;1-Benzyl-5-[1-(3,5-dimethoxy-benzylamino)-meth-(Z)-ylidene]-2-thioxo-dihydro-pyrimidine-4,6-dione;585562-64-7

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1-benzyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one Basic Attributes

Molecular Weight：

411.5 g/mol

Exact Mass：

411.12527733 g/mol

Characteristics

PSA：

116 Å²

Computed Properties

Molecular Weight:411.5
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:411.12527733
Monoisotopic Mass:411.12527733
Topological Polar Surface Area:116
Heavy Atom Count:29
Complexity:648
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-benzyl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one

Basic Attributes
Characteristics
Computed Properties

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