8-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-1,3-diethyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-1,3-diethyl-7H-purine-2,6-quinone Formula: C19H21N5O6 MolecularWeight: 415.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C=CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H21N5O6/c1-5-22-17-16(18(25)23(6-2)19(22)26)20-15(21-17)8-7-11-9-13(29-3)14(30-4)10-12(11)24(27)28/h7-10H,5-6H2,1-4H3,(H,20,21)/b8-7+