6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
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![6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d9471ee735cc49238af7197a4e5e7bc2.png "6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one")
6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
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CAS No:
606958-51-4
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Formula:
C22H20N4O3S
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Chemical Name:
6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
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Synonyms:
STK703833;AKOS001465656;ZINC100826454;MCULE-8717972772;SR-01000084825;SR-01000084825-1;1-allyl-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one;2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1-(prop-2-en-1-yl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one;606958-51-4
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CAS No:
6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one Basic Attributes
420.5 g/mol
420.12561169 g/mol
Computed Properties
Molecular Weight:420.5
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:420.12561169
Monoisotopic Mass:420.12561169
Topological Polar Surface Area:102
Heavy Atom Count:30
Complexity:1080
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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