6-ethoxy-9-(4-methoxy-3,5-dinitro-phenyl)purine

Systemtic Name: 6-ethoxy-9-(4-methoxy-3,5-dinitro-phenyl)purine Openeye Name: 6-ethoxy-9-(4-methoxy-3,5-dinitro-phenyl)purine CAS Name: 6-ethoxy-9-(4-methoxy-3,5-dinitrophenyl)purine IUPAC Name: 6-ethoxy-9-(4-methoxy-3,5-dinitrophenyl)purine Traditional Name: 6-ethoxy-9-(4-methoxy-3,5-dinitro-phenyl)purine Formula: C14H12N6O6 MolecularWeight: 360.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC2=C1N=CN2C3=CC(=C(C(=C3)[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NC=NC2=C1N=CN2C3=CC(=C(C(=C3)[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O6/c1-3-26-14-11-13(15-6-16-14)18(7-17-11)8-4-9(19(21)22)12(25-2)10(5-8)20(23)24/h4-7H,3H2,1-2H3