2-[3-[(Z)-(1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile
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![2-[3-[(Z)-(1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ea50f3d04be6406081009e826a79375a.png "2-[3-[(Z)-(1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile")
2-[3-[(Z)-(1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile
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CAS No:
1164462-59-2
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Formula:
C20H20N4O3S
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Chemical Name:
2-[3-[(Z)-(1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile
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Synonyms:
MLS000590928;CHEMBL1499910;HMS2563K03;ZINC9058682;STK540917;AKOS005470735;SMR000217747;1164462-59-2;2-{3-[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile;2-{3-[1-Ethyl-2,4,6-trioxo-tetrahydro-pyrimidin-(5Z)-ylidenemethyl]-2,5-dimethyl-pyrrol-1-yl}-4,5-dimethyl-thiophene-3-carbonitrile
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CAS No:
2-[3-[(Z)-(1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile Basic Attributes
396.5 g/mol
396.12561169 g/mol
Computed Properties
Molecular Weight:396.5
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:396.12561169
Monoisotopic Mass:396.12561169
Topological Polar Surface Area:123
Heavy Atom Count:28
Complexity:773
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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