(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9d9f03b83f314725a993b0771f091a8c.png "(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
896823-99-7
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Formula:
C20H17N5O2S
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Chemical Name:
(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
STK581457;ZINC18066409;AKOS005505289;AKOS032394773;(E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;4-{(6E)-6-[4-(dimethylamino)benzylidene]-5-iminio-7-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}phenolate;896823-99-7
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CAS No:
(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
391.4 g/mol
391.11029598 g/mol
Computed Properties
Molecular Weight:391.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:391.11029598
Monoisotopic Mass:391.11029598
Topological Polar Surface Area:114
Heavy Atom Count:28
Complexity:870
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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