SMSSF-0061138

8-[(2E)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione

Also Known As: 8-((E)-2-((Z)-2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|F0823-0057|8-[(2E)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione|8-[(E)-2-[(2Z)-2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]hydrazin-1-yl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-(2-((1E,2Z)-2-chloro-3-(4-nitrophenyl)allylidene)hydrazineyl)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-[(E)-[(Z)-2-chloro-3-(p-nitrophenyl)-2-propenylidene]hydrazino]-7-[2-hydroxy-3-(o-tolyloxy)propyl]-1,3-dimethyl-3,7-dihydro-2H-purine-2,6(1H)-dione|8-{(2E)-2-[(2Z)-2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]hydrazinyl}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C26H26ClN7O6
Molecular Weight	567.1633 g/mol
LogP	2.76782
Topological Polar Surface Area	158.81 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	567.1633
Monoisotopic Mass	567.1633
Heavy Atoms	40
Complexity	1737.5071

Chemical Identifiers

CAS Number	375358-71-7
SMILES	CC1=CC=CC=C1OCC(CN2C3=C(N=C2N/N=C/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/Cl)N(C(=O)N(C3=O)C)C)O