AC1MHMTP

N-[1-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]pyridin-1-ium-4-yl]-3,4,5-trimethoxybenzamide bromide

Also Known As: 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole|Pyridinium, 1-(3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propyl)-4-((3,4,5-trimethoxybenzoyl)amino)-, bromide|1-[3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propyl]-4-(3,4,5-trimethoxy-benzoylamino)-pyridinium; bromide|N-[1-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propyl]pyridin-4-yl]-3,4,5-trimethoxy-benzamide Bromide|N-[1-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]pyridin-1-ium-4-yl]-3,4,5-trimethoxybenzamide bromide

Molecular Formula	C25H29BrN6O6
Molecular Weight	588.1332 g/mol
LogP	-1.9064
Topological Polar Surface Area	122.49 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	588.1332
Monoisotopic Mass	588.1332
Heavy Atoms	38
Complexity	1549.4896

Chemical Identifiers

CAS Number	70919-96-9
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC[N+]3=CC=C(C=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC.[Br-]