AC1NXLKJ

4-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]ethyl]-N-methylpiperazine-1-carbothioamide

Also Known As: (E)-4-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)ethyl)-N-methylpiperazine-1-carbothioamide|4-(2-{1-[1-Allyl-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidene]-ethylamino}-ethyl)-piperazine-1-carbothio ic acid methylamide|4-[2-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)ethyl]-N-methylpiperazine-1-carbothioamide|N-methyl-4-[2-[[(1Z)-1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethyl]amino]ethyl]piperazine-1-carbothioamide|N-methyl-4-[2-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)ethylamino]ethyl]piperazine-1-carbothioamide

Molecular Formula	C17H26N6O3S
Molecular Weight	394.1787 g/mol
LogP	-0.6409
Topological Polar Surface Area	105.96 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	394.1787
Monoisotopic Mass	394.1787
Heavy Atoms	27
Complexity	836.05096

Chemical Identifiers

CAS Number	577982-06-0
SMILES	CC(=NCCN1CCN(CC1)C(=S)NC)C2=C(N(C(=O)NC2=O)CC=C)O