AC1MLUG6

3-(7-hydroxy-1-methyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)propanenitrile

Also Known As: Oprea1_294657|3-(7-hydroxy-1-methyl-2,4-dioxo-9-phenyl-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile|3-(7-hydroxy-1-methyl-2,4-dioxo-9-phenyl-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)propanenitrile|3-(7-hydroxy-1-methyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)propanenitrile

Molecular Formula	C18H18N6O3
Molecular Weight	366.14404 g/mol
LogP	0.32298
Topological Polar Surface Area	109.08 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	366.14404
Monoisotopic Mass	366.14404
Heavy Atoms	27
Complexity	1168.2458

Chemical Identifiers

CAS Number	107945-64-2
SMILES	CN1C2=C(C(=O)N(C1=O)CCC#N)N3CC(CN(C3=N2)C4=CC=CC=C4)O