1,3-diethyl-8-[(E)-2-(3-methoxy-2-nitro-phenyl)ethenyl]-7-methyl-purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-[(E)-2-(3-methoxy-2-nitro-phenyl)ethenyl]-7-methyl-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[(E)-2-(3-methoxy-2-nitro-phenyl)vinyl]-7-methyl-purine-2,6-dione CAS Name: 1,3-diethyl-8-[(E)-2-(3-methoxy-2-nitrophenyl)ethenyl]-7-methylpurine-2,6-dione IUPAC Name: 1,3-diethyl-8-[(E)-2-(3-methoxy-2-nitrophenyl)ethenyl]-7-methylpurine-2,6-dione Traditional Name: 1,3-diethyl-8-[(E)-2-(3-methoxy-2-nitro-phenyl)vinyl]-7-methyl-xanthine Formula: C19H21N5O5 MolecularWeight: 399.40054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O5/c1-5-22-17-16(18(25)23(6-2)19(22)26)21(3)14(20-17)11-10-12-8-7-9-13(29-4)15(12)24(27)28/h7-11H,5-6H2,1-4H3/b11-10+