N-[4-[2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]phenyl]acetamide
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![N-[4-[2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]phenyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f91b078c5a2f4dcdb2eb4852290a72c9.png "N-[4-[2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]phenyl]acetamide")
N-[4-[2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]phenyl]acetamide
structure -
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CAS No:
578002-37-6
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Formula:
C20H20N4O3S
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Chemical Name:
N-[4-[2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]phenyl]acetamide
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Synonyms:
N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide;ZINC2369164;STK052034;STL042300;AKOS000328729;AKOS005695855;578002-37-6;N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide
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CAS No:
N-[4-[2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]phenyl]acetamide Basic Attributes
396.5 g/mol
396.12561169 g/mol
Computed Properties
Molecular Weight:396.5
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:396.12561169
Monoisotopic Mass:396.12561169
Topological Polar Surface Area:116
Heavy Atom Count:28
Complexity:714
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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