Benzoyloxymethylthiamine

[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]sulfanylmethyl benzoate

Also Known As: Benzoyloxymethylthiamine|benzoyloxymethyl-thiamine|EINECS 242-371-3|BT 851|BT-851|[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]sulfanylmethyl benzoate|3-(benzoyloxymethylthio)-4-(N(2-methyl-4-amino-5-pyrimidinomethyl)-N-formyl)amino-delta-(3)-pentenol|[(2-{Formyl[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]amino}-5-hydroxypent-2-en-3-yl)sulfanyl]methyl benzoate|[(5-Hydroxy-2-{N-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]formamido}pent-2-en-3-yl)sulfanyl]methyl benzoate|4-((4-Amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino)-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate|4-[(4-Amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate|Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[(benzoyloxy)methyl]thio]-4-hydroxy-1-methyl-1-buten-1-yl]-|N,N'-bis-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N,N'-[2,5-bis-(2-butyryloxy-ethyl)-1,6-dimethyl-3,4-dithia-hexa-1,5-diene-1,6-diyl]-bis-formamide

Molecular Formula	C20H24N4O4S
Molecular Weight	416.15182 g/mol
LogP	2.49
Topological Polar Surface Area	118.64 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	416.15182
Heavy Atoms	29
Complexity	874.0

Chemical Identifiers

CAS Number	18481-26-0
SMILES	CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SCOC(=O)C2=CC=CC=C2)C