loading...| Preferred Name |
thiamylal |
|
| Synonyms |
5-(pentan-2-yl)-5-(prop-2-en-1-yl)-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione Thiamylal thioseconal dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione 5-allyl-5-(1-methylbutyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione 5-allyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid |
|
| Definitions |
A member of the class of barbiturates that is 2-thioxodihydropyrimidine-4,6(1H,5H)-dione substituted by a pentan-2-yl and prop-2-en-1-yl group at position 5. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9536 |
|
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Thiamylal PMID:23852608 PMID:20434100 PMID:1943061 KEGG:C07846 HMDB:HMDB0015285 LINCS:LSM-4367 KEGG:D06106 PMID:24351886 Beilstein:225331 DrugBank:DB01154 Drug_Central:2626 CAS:77-27-0 Reaxys:225331 |
|
| definition |
A member of the class of barbiturates that is 2-thioxodihydropyrimidine-4,6(1H,5H)-dione substituted by a pentan-2-yl and prop-2-en-1-yl group at position 5. |
|
| formula |
C12H18N2O2S |
|
| has exact synonym |
5-(pentan-2-yl)-5-(prop-2-en-1-yl)-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione Thiamylal |
|
| has role | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
thioseconal dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione 5-allyl-5-(1-methylbutyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione 5-allyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid |
|
| id |
CHEBI:9536 |
|
| in_subset | ||
| inchi |
InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17) |
|
| inchikey |
XLOMZPUITCYLMJ-UHFFFAOYSA-N |
|
| label |
thiamylal |
|
| mass |
254.34960 |
|
| monoisotopicmass |
254.10890 |
|
| notation |
CHEBI:9536 |
|
| prefLabel |
thiamylal |
|
| smiles |
CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O |
|
| subClassOf |