AC1LUTPN

1-[2-[7-methoxy-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-1,3-dimethylthiourea

Also Known As: 1-(2-{6-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea|1-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-1,3-dimethylthiourea|1-[2-[7-methoxy-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-1,3-dimethylthiourea|1-{2-[7-Methoxy-6-(2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzo[1,3]dioxol-5-yl]-ethyl}-1,3-d imethyl-thiourea

Molecular Formula	C18H20N4O6S
Molecular Weight	420.11035 g/mol
LogP	0.1519
Topological Polar Surface Area	118.23 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	420.11035
Monoisotopic Mass	420.11035
Heavy Atoms	29
Complexity	907.4167

Chemical Identifiers

CAS Number	577696-46-9
SMILES	CNC(=S)N(C)CCC1=CC2=C(C(=C1C=C3C(=O)NC(=O)NC3=O)OC)OCO2