AC1LMGUK

methyl 2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate

Also Known As: CCG-3233|BAS 02287910|AJ-292/37222028|methyl {[6,6-dimethyl-3-(2-methyl-2-propenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate|Methyl 2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate|[6,6-Dimethyl-3-(2-methyl-allyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4'',3'':4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl]-acetic acid methyl ester|methyl {[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate|methyl 2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate

Molecular Formula	C18H22N2O4S2
Molecular Weight	394.1021 g/mol
LogP	3.1505
Topological Polar Surface Area	70.42 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	394.1021
Monoisotopic Mass	394.1021
Heavy Atoms	26
Complexity	942.7947

Chemical Identifiers

CAS Number	351007-22-2
SMILES	CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)OC)SC3=C2CC(OC3)(C)C