Acefurtiamine

[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetyloxyacetate

Also Known As: Acefurtiamine|Acefurtiamina|Acefurtiaminum|Acefurtiamine [INN]|[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetyloxyacetate|S-Ester of Thio-2-furoic acid with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide O-glycolate acetate|(Z)-4-(N-(4-Amino-2-methyl-5-pyrimidinylmethyl)formylamino)-3-(2-furoylthio)-3-pentenyl acetoxyacetat|[(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetyloxyacetate|[(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl]2-acetyloxyacetate|2-Furoic acid, thio-, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide glycolate (ester) acetate (ester)|4-{N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(furan-2-carbonyl)sulfanyl]pent-3-en-1-yl (acetyloxy)acetate|Acetic acid, (acetyloxy)-, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(2-furanylcarbonyl)thio]-3-pentenyl ester|Acetic acid, 2-(acetyloxy)-, 4-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-3-((2-furanylcarbonyl)thio)-3-penten-1-yl ester

Molecular Formula	C21H24N4O7S
Molecular Weight	476.13657 g/mol
LogP	1.5
Topological Polar Surface Area	180.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	13
Exact Mass	476.13657
Monoisotopic Mass	476.13657
Heavy Atoms	33
Complexity	748.0

Chemical Identifiers

CAS Number	10072-48-7
SMILES	CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)COC(=O)C)SC(=O)C2=CC=CO2)C
InChIKey	MYBUGVXNAHWTOL-UHFFFAOYSA-N