RefChem:1063184

7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione

Also Known As: 2-Furanacrolein, 5-nitro-, (1,3-dimethyl-2,6-dioxo-7-(2-hydroxy-3-phenoxypropyl)-1,2,3,6-tetrahydropurin-8-yl)hydrazone|5-Nitro-2-furanacrylaldehyde [1,3-dimethyl-2,6-dioxo-7-(2-hydroxy-3-phenoxypropyl)-1,2,3,6-tetrahydro-7H-purin-8-yl]hydrazone|7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-{2-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazin-1-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[2-hydroxy-3-(phenoxy)propyl]-1,3-dimethyl-8-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione

Molecular Formula	C23H23N7O7
Molecular Weight	509.1659 g/mol
LogP	1.4859
Topological Polar Surface Area	171.95 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	509.1659
Monoisotopic Mass	509.1659
Heavy Atoms	37
Complexity	1595.3851

Chemical Identifiers

CAS Number	78960-64-2
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C=C/C3=CC=C(O3)[N+](=O)[O-])CC(COC4=CC=CC=C4)O